ChemDiv1_008227
TL;DR: ChemDiv1_008227 (CAS 315685-48-4) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
Also Known As: ChemDiv1_008227, DivK1c_002867, CDS1_001827, BAS 04913316, 2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.39034 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1101.0422 |
Chemical Identifiers
| CAS Number | 315685-48-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C |
Product Overview
ChemDiv1_008227 (CAS 315685-48-4), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_008227
Property Insights of ChemDiv1_008227
The XLogP value of 4.39034 indicates that ChemDiv1_008227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008227. Following Lipinski's Rule of Five, ChemDiv1_008227 has 1 hydrogen bond donor(s) and 6 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_008227?
The CAS number of ChemDiv1_008227 is 315685-48-4.
What is the molecular formula of ChemDiv1_008227?
The molecular formula of ChemDiv1_008227 is C21H23N3O3S2.
What is the molecular weight of ChemDiv1_008227?
The molecular weight of ChemDiv1_008227 is 429.12 g/mol.
Where can I buy ChemDiv1_008227?
You can request a quote for ChemDiv1_008227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008227?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.