ChemDiv1_008124
TL;DR: ChemDiv1_008124 (CAS 315702-35-3) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_008124, DivK1c_002764, CDS1_001724, BAS 03352729, AF-399/15334053
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.5432 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1111.3817 |
Chemical Identifiers
| CAS Number | 315702-35-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCCOCCO |
Product Overview
ChemDiv1_008124 (CAS 315702-35-3), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_008124
Property Insights of ChemDiv1_008124
The XLogP value of 2.5432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008124. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008124. Following Lipinski's Rule of Five, ChemDiv1_008124 has 2 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 ChemDiv1_008124?
The CAS number of ChemDiv1_008124 is 315702-35-3.
What is the molecular formula of ChemDiv1_008124?
The molecular formula of ChemDiv1_008124 is C22H25N3O4S2.
What is the molecular weight of ChemDiv1_008124?
The molecular weight of ChemDiv1_008124 is 459.13 g/mol.
Where can I buy ChemDiv1_008124?
You can request a quote for ChemDiv1_008124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008124?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.