RefChem:357749
TL;DR: RefChem:357749 (CAS 105241-82-5) is a chemical compound with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2-chlorophenyl)-13-methoxy-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,8,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Also Known As: Morpholine, 4-(3-(4-(2-chlorophenyl)-9-methoxy-4H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[4-(2-Chlorophenyl)-9-methoxy-4H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one, RefChem:357749
| Molecular Formula | C22H22ClN5O3S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 3.3041 |
| Topological Polar Surface Area | 81.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1132 |
| Heavy Atoms | 32 |
| Complexity | 1168.2804 |
Chemical Identifiers
| CAS Number | 105241-82-5 |
|---|---|
| SMILES | COC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(N=C2)C5=CC=CC=C5Cl |
Product Overview
RefChem:357749 (CAS 105241-82-5), with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol. IUPAC: 3-[7-(2-chlorophenyl)-13-methoxy-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,8,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one.
Chemical Property Profile of RefChem:357749
Property Insights of RefChem:357749
The XLogP value of 3.3041 indicates that RefChem:357749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357749. Following Lipinski's Rule of Five, RefChem:357749 has 0 hydrogen bond donor(s) and 7 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 RefChem:357749?
The CAS number of RefChem:357749 is 105241-82-5.
What is the molecular formula of RefChem:357749?
The molecular formula of RefChem:357749 is C22H22ClN5O3S.
What is the molecular weight of RefChem:357749?
The molecular weight of RefChem:357749 is 471.11 g/mol.
Where can I buy RefChem:357749?
You can request a quote for RefChem:357749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:357749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:357749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.