A1412/0063115
TL;DR: A1412/0063115 (CAS 311775-73-2) is a chemical compound with molecular formula C24H20ClN3O2S2 and molecular weight 481.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: A1412/0063115, N-(5-chloro-2-methylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(5-chloro-2-methylphenyl)-2-[(1-oxo-2-phenyl-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]acetamide, N-(5-Chloro-2-methylphenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide, N-(5-chloro-2-methylphenyl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C24H20ClN3O2S2 |
|---|---|
| Molecular Weight | 481.07 g/mol |
| LogP | 5.62852 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.06854 |
| Heavy Atoms | 32 |
| Complexity | 1396.1344 |
Chemical Identifiers
| CAS Number | 311775-73-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
A1412/0063115 (CAS 311775-73-2), with molecular formula C24H20ClN3O2S2 and molecular weight 481.07 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of A1412/0063115
Property Insights of A1412/0063115
The XLogP value of 5.62852 indicates that A1412/0063115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for A1412/0063115. Following Lipinski's Rule of Five, A1412/0063115 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1412/0063115?
The CAS number of A1412/0063115 is 311775-73-2.
What is the molecular formula of A1412/0063115?
The molecular formula of A1412/0063115 is C24H20ClN3O2S2.
What is the molecular weight of A1412/0063115?
The molecular weight of A1412/0063115 is 481.07 g/mol.
Where can I buy A1412/0063115?
You can request a quote for A1412/0063115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1412/0063115?
Yes, KEHONG BIO provides custom synthesis services for A1412/0063115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.