ChemDiv1_006001
TL;DR: ChemDiv1_006001 (CAS 351005-76-0) is a chemical compound with molecular formula C12H15N3OS2 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: ChemDiv1_006001, BAS 02287744, 3-ethyl-7-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-ethyl-2-mercapto-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C12H15N3OS2 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.12839 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06564 |
| Heavy Atoms | 18 |
| Complexity | 725.2233 |
Chemical Identifiers
| CAS Number | 351005-76-0 |
|---|---|
| SMILES | CCN1C(=O)C2=C(NC1=S)SC3=C2CCN(C3)C |
Product Overview
ChemDiv1_006001 (CAS 351005-76-0), with molecular formula C12H15N3OS2 and molecular weight 281.07 g/mol. IUPAC: 4-ethyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of ChemDiv1_006001
Property Insights of ChemDiv1_006001
The XLogP value of 2.12839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006001. With a topological polar surface area (TPSA) of 41.03 Ų, ChemDiv1_006001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006001 has 1 hydrogen bond donor(s) and 4 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_006001?
The CAS number of ChemDiv1_006001 is 351005-76-0.
What is the molecular formula of ChemDiv1_006001?
The molecular formula of ChemDiv1_006001 is C12H15N3OS2.
What is the molecular weight of ChemDiv1_006001?
The molecular weight of ChemDiv1_006001 is 281.07 g/mol.
Where can I buy ChemDiv1_006001?
You can request a quote for ChemDiv1_006001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006001?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.