ChemDiv3_001429
TL;DR: ChemDiv3_001429 (CAS 353462-97-2) is a chemical compound with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] 2-chlorobenzoate
Also Known As: ChemDiv3_001429, IDI1_020395, 4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2-chlorobenzoate, [4-(11-Methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] 2-chlorobenzoate, [4-(7-methyl-4-oxo-1,2,3,5,6,8-hexahydropyrido[2,3]thieno[2,4-d]pyrimidin-2-yl)phenyl] 2-chlorobenzoate
| Molecular Formula | C23H20ClN3O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 4.4627 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.0914 |
| Heavy Atoms | 31 |
| Complexity | 1175.3098 |
Chemical Identifiers
| CAS Number | 353462-97-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5Cl |
Product Overview
ChemDiv3_001429 (CAS 353462-97-2), with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol. IUPAC: [4-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)phenyl] 2-chlorobenzoate.
Chemical Property Profile of ChemDiv3_001429
Property Insights of ChemDiv3_001429
The XLogP value of 4.4627 indicates that ChemDiv3_001429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001429. Following Lipinski's Rule of Five, ChemDiv3_001429 has 2 hydrogen bond donor(s) and 6 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 ChemDiv3_001429?
The CAS number of ChemDiv3_001429 is 353462-97-2.
What is the molecular formula of ChemDiv3_001429?
The molecular formula of ChemDiv3_001429 is C23H20ClN3O3S.
What is the molecular weight of ChemDiv3_001429?
The molecular weight of ChemDiv3_001429 is 453.09 g/mol.
Where can I buy ChemDiv3_001429?
You can request a quote for ChemDiv3_001429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001429?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.