ChemDiv1_005013
TL;DR: ChemDiv1_005013 (CAS 315239-30-6) is a chemical compound with molecular formula C20H26N4O3S2 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-morpholin-4-ylethyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_005013, AF-399/37411017, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-morpholinoethyl)acetamide, F0829-0009, 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(4-morpholinyl)ethyl]acetamide
| Molecular Formula | C20H26N4O3S2 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 1.6732 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.14462 |
| Heavy Atoms | 29 |
| Complexity | 962.7675 |
Chemical Identifiers
| CAS Number | 315239-30-6 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCN3CCOCC3)SC4=C2CCC4 |
Product Overview
ChemDiv1_005013 (CAS 315239-30-6), with molecular formula C20H26N4O3S2 and molecular weight 434.14 g/mol. IUPAC: N-(2-morpholin-4-ylethyl)-2-[(12-oxo-11-prop-2-enyl-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 ChemDiv1_005013
Property Insights of ChemDiv1_005013
The XLogP value of 1.6732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005013. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005013. Following Lipinski's Rule of Five, ChemDiv1_005013 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_005013?
The CAS number of ChemDiv1_005013 is 315239-30-6.
What is the molecular formula of ChemDiv1_005013?
The molecular formula of ChemDiv1_005013 is C20H26N4O3S2.
What is the molecular weight of ChemDiv1_005013?
The molecular weight of ChemDiv1_005013 is 434.14 g/mol.
Where can I buy ChemDiv1_005013?
You can request a quote for ChemDiv1_005013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005013?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.