ChemDiv1_008513
TL;DR: ChemDiv1_008513 (CAS 315682-32-7) is a chemical compound with molecular formula C21H23N3O5S3 and molecular weight 493.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_008513, UPCMLD0ENAT0513-7181:001, AB00685343-01, diethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate, AF-399/15128416
| Molecular Formula | C21H23N3O5S3 |
|---|---|
| Molecular Weight | 493.08 g/mol |
| LogP | 4.76226 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.08 |
| Heavy Atoms | 32 |
| Complexity | 1185.2626 |
Chemical Identifiers
| CAS Number | 315682-32-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C |
Product Overview
ChemDiv1_008513 (CAS 315682-32-7), with molecular formula C21H23N3O5S3 and molecular weight 493.08 g/mol. IUPAC: diethyl 5-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_008513
Property Insights of ChemDiv1_008513
The XLogP value of 4.76226 indicates that ChemDiv1_008513 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_008513. Following Lipinski's Rule of Five, ChemDiv1_008513 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_008513?
The CAS number of ChemDiv1_008513 is 315682-32-7.
What is the molecular formula of ChemDiv1_008513?
The molecular formula of ChemDiv1_008513 is C21H23N3O5S3.
What is the molecular weight of ChemDiv1_008513?
The molecular weight of ChemDiv1_008513 is 493.08 g/mol.
Where can I buy ChemDiv1_008513?
You can request a quote for ChemDiv1_008513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008513?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.