7H-061
TL;DR: 7H-061 (CAS 344262-83-5) is a chemical compound with molecular formula C23H18ClN5OS and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methylsulfanyl]-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
Also Known As: 7H-061, 2-[(2-chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one, 6-{[(2-chlorophenyl)methyl]sulfanyl}-4,5,7,9,13-pentaazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one, 6-[(2-chlorophenyl)methylsulfanyl]-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
| Molecular Formula | C23H18ClN5OS |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.3657 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.09207 |
| Heavy Atoms | 31 |
| Complexity | 1336.8035 |
Chemical Identifiers
| CAS Number | 344262-83-5 |
|---|---|
| SMILES | C1CN2C(CC3=C(C2=O)C=NC4=NC(=NN34)SCC5=CC=CC=C5Cl)C6=CC=CC=C61 |
Product Overview
7H-061 (CAS 344262-83-5), with molecular formula C23H18ClN5OS and molecular weight 447.09 g/mol. IUPAC: 6-[(2-chlorophenyl)methylsulfanyl]-4,5,7,9,13-pentazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one.
Chemical Property Profile of 7H-061
Property Insights of 7H-061
The XLogP value of 4.3657 indicates that 7H-061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-061. Following Lipinski's Rule of Five, 7H-061 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 7H-061?
The CAS number of 7H-061 is 344262-83-5.
What is the molecular formula of 7H-061?
The molecular formula of 7H-061 is C23H18ClN5OS.
What is the molecular weight of 7H-061?
The molecular weight of 7H-061 is 447.09 g/mol.
Where can I buy 7H-061?
You can request a quote for 7H-061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-061?
Yes, KEHONG BIO provides custom synthesis services for 7H-061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.