ChemDiv1_007910
TL;DR: ChemDiv1_007910 (CAS 315239-31-7) is a chemical compound with molecular formula C21H28N4O3S2 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-morpholin-4-ylethyl)-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_007910, BAS 02944383, N-(2-morpholin-4-ylethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, AF-399/37411018, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-morpholinoethyl)acetamide
| Molecular Formula | C21H28N4O3S2 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 2.0633 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.16028 |
| Heavy Atoms | 30 |
| Complexity | 978.7673 |
Chemical Identifiers
| CAS Number | 315239-31-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCN3CCOCC3)SC4=C2CCCC4 |
Product Overview
ChemDiv1_007910 (CAS 315239-31-7), with molecular formula C21H28N4O3S2 and molecular weight 448.16 g/mol. IUPAC: N-(2-morpholin-4-ylethyl)-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_007910
Property Insights of ChemDiv1_007910
The XLogP value of 2.0633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007910. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007910. Following Lipinski's Rule of Five, ChemDiv1_007910 has 1 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_007910?
The CAS number of ChemDiv1_007910 is 315239-31-7.
What is the molecular formula of ChemDiv1_007910?
The molecular formula of ChemDiv1_007910 is C21H28N4O3S2.
What is the molecular weight of ChemDiv1_007910?
The molecular weight of ChemDiv1_007910 is 448.16 g/mol.
Where can I buy ChemDiv1_007910?
You can request a quote for ChemDiv1_007910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007910?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.