ChemDiv1_008991
TL;DR: ChemDiv1_008991 (CAS 315709-38-7) is a chemical compound with molecular formula C21H18N4O2S3 and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
Also Known As: ChemDiv1_008991, AB00685711-01, F1174-0836, AF-399/40684330, 2-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-5-phenylthiophene-3-carboxamide
| Molecular Formula | C21H18N4O2S3 |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 4.86634 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.0592 |
| Heavy Atoms | 30 |
| Complexity | 1248.1155 |
Chemical Identifiers
| CAS Number | 315709-38-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)C |
Product Overview
ChemDiv1_008991 (CAS 315709-38-7), with molecular formula C21H18N4O2S3 and molecular weight 454.06 g/mol. IUPAC: 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_008991
Property Insights of ChemDiv1_008991
The XLogP value of 4.86634 indicates that ChemDiv1_008991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008991. Following Lipinski's Rule of Five, ChemDiv1_008991 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_008991?
The CAS number of ChemDiv1_008991 is 315709-38-7.
What is the molecular formula of ChemDiv1_008991?
The molecular formula of ChemDiv1_008991 is C21H18N4O2S3.
What is the molecular weight of ChemDiv1_008991?
The molecular weight of ChemDiv1_008991 is 454.06 g/mol.
Where can I buy ChemDiv1_008991?
You can request a quote for ChemDiv1_008991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008991?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.