ChemDiv1_008645
TL;DR: ChemDiv1_008645 (CAS 314260-97-4) is a chemical compound with molecular formula C19H19N3O5S3 and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_008645, AB00685346-01, F0863-0328, AF-399/15031049, dimethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C19H19N3O5S3 |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 3.98206 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.04868 |
| Heavy Atoms | 30 |
| Complexity | 1152.1875 |
Chemical Identifiers
| CAS Number | 314260-97-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC)C |
Product Overview
ChemDiv1_008645 (CAS 314260-97-4), with molecular formula C19H19N3O5S3 and molecular weight 465.05 g/mol. IUPAC: dimethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_008645
Property Insights of ChemDiv1_008645
The XLogP value of 3.98206 indicates that ChemDiv1_008645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008645. Following Lipinski's Rule of Five, ChemDiv1_008645 has 1 hydrogen bond donor(s) and 10 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_008645?
The CAS number of ChemDiv1_008645 is 314260-97-4.
What is the molecular formula of ChemDiv1_008645?
The molecular formula of ChemDiv1_008645 is C19H19N3O5S3.
What is the molecular weight of ChemDiv1_008645?
The molecular weight of ChemDiv1_008645 is 465.05 g/mol.
Where can I buy ChemDiv1_008645?
You can request a quote for ChemDiv1_008645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.