ChemDiv1_008997
TL;DR: ChemDiv1_008997 (CAS 315711-18-3) is a chemical compound with molecular formula C19H21N3O3S3 and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ChemDiv1_008997, BAS 02054262, AF-399/15335179, ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate, F0915-6528
| Molecular Formula | C19H21N3O3S3 |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 4.89398 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0745 |
| Heavy Atoms | 28 |
| Complexity | 1055.7924 |
Chemical Identifiers
| CAS Number | 315711-18-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C |
Product Overview
ChemDiv1_008997 (CAS 315711-18-3), with molecular formula C19H21N3O3S3 and molecular weight 435.07 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008997
Property Insights of ChemDiv1_008997
The XLogP value of 4.89398 indicates that ChemDiv1_008997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008997. Following Lipinski's Rule of Five, ChemDiv1_008997 has 1 hydrogen bond donor(s) and 8 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_008997?
The CAS number of ChemDiv1_008997 is 315711-18-3.
What is the molecular formula of ChemDiv1_008997?
The molecular formula of ChemDiv1_008997 is C19H21N3O3S3.
What is the molecular weight of ChemDiv1_008997?
The molecular weight of ChemDiv1_008997 is 435.07 g/mol.
Where can I buy ChemDiv1_008997?
You can request a quote for ChemDiv1_008997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008997?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.