JQ49AP2PMY
TL;DR: JQ49AP2PMY (CAS 132418-30-5) is a chemical compound with molecular formula C22H23ClN6S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-3-methyl-N-propan-2-yl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide
Also Known As: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(1-methylethyl)-, 6-(2-CHLOROPHENYL)-7,10-DIHYDRO-1-METHYL-N-(1-METHYLETHYL)-4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-9(8H)-CARBOTHIOAMIDE, 6-(2-Chlorophenyl)-1-methyl-N-(propan-2-yl)-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide, RefChem:100705
| Molecular Formula | C22H23ClN6S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 4.28262 |
| Topological Polar Surface Area | 58.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.11142 |
| Heavy Atoms | 31 |
| Complexity | 1208.8044 |
Chemical Identifiers
| CAS Number | 132418-30-5 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)NC(C)C)C(=NC2)C5=CC=CC=C5Cl |
Product Overview
JQ49AP2PMY (CAS 132418-30-5), with molecular formula C22H23ClN6S2 and molecular weight 470.11 g/mol. IUPAC: 9-(2-chlorophenyl)-3-methyl-N-propan-2-yl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide.
Chemical Property Profile of JQ49AP2PMY
Property Insights of JQ49AP2PMY
The XLogP value of 4.28262 indicates that JQ49AP2PMY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.34 Ų, JQ49AP2PMY exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JQ49AP2PMY has 1 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 JQ49AP2PMY?
The CAS number of JQ49AP2PMY is 132418-30-5.
What is the molecular formula of JQ49AP2PMY?
The molecular formula of JQ49AP2PMY is C22H23ClN6S2.
What is the molecular weight of JQ49AP2PMY?
The molecular weight of JQ49AP2PMY is 470.11 g/mol.
Where can I buy JQ49AP2PMY?
You can request a quote for JQ49AP2PMY directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JQ49AP2PMY?
Yes, KEHONG BIO provides custom synthesis services for JQ49AP2PMY and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.