ChemDiv1_004608
TL;DR: ChemDiv1_004608 (CAS 325693-19-4) is a chemical compound with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_004608, BAS 02072455, BIM-0030519.P001, AF-399/14425099, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-hydroxyethyl)acetamide
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 1.7234 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 856.9206 |
Chemical Identifiers
| CAS Number | 325693-19-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCO)SC3=C2CCCC3 |
Product Overview
ChemDiv1_004608 (CAS 325693-19-4), with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol. IUPAC: N-(2-hydroxyethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_004608
Property Insights of ChemDiv1_004608
The XLogP value of 1.7234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004608. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004608. Following Lipinski's Rule of Five, ChemDiv1_004608 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 ChemDiv1_004608?
The CAS number of ChemDiv1_004608 is 325693-19-4.
What is the molecular formula of ChemDiv1_004608?
The molecular formula of ChemDiv1_004608 is C17H21N3O3S2.
What is the molecular weight of ChemDiv1_004608?
The molecular weight of ChemDiv1_004608 is 379.10 g/mol.
Where can I buy ChemDiv1_004608?
You can request a quote for ChemDiv1_004608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004608?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.