![(S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone structure](/static/products/1316/131614-02-3.webp)
(S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone
TL;DR: (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone (CAS 131614-02-3) is a chemical compound with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-cyclopropylmethanone
Also Known As: (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone, [(7S)-9-(2-Chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-cyclopropylmethanone, 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 7,8,9,10-tetrahydro-6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-1,4-dimethyl-, (S)-, 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolol(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-7,8,9,10-tetrahydro-1,4-dimethyl-, (S)-, 4H-Pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 6-(2-chlorophenyl)-9-(cyclopropylcarbonyl)-7,8,9,10-tetrahydro-1,4-dimethyl-, (4S)-
| Molecular Formula | C23H22ClN5OS |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 4.49732 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.12335 |
| Heavy Atoms | 31 |
| Complexity | 1254.8905 |
Chemical Identifiers
| CAS Number | 131614-02-3 |
|---|---|
| SMILES | C[C@H]1C2=NN=C(N2C3=C(C4=C(S3)CN(CC4)C(=O)C5CC5)C(=N1)C6=CC=CC=C6Cl)C |
Product Overview
(S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone (CAS 131614-02-3), with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol. IUPAC: [(7S)-9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-cyclopropylmethanone.
Chemical Property Profile of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone
Property Insights of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone
The XLogP value of 4.49732 indicates that (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone. Following Lipinski's Rule of Five, (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone?
The CAS number of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone is 131614-02-3.
What is the molecular formula of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone?
The molecular formula of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone is C23H22ClN5OS.
What is the molecular weight of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone?
The molecular weight of (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone is 451.12 g/mol.
Where can I buy (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone?
You can request a quote for (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (S)-(6-(2-chlorophenyl)-1,4-dimethyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-yl)(cyclopropyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.