ChemDiv1_004832
TL;DR: ChemDiv1_004832 (CAS 325693-42-3) 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.
4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide
Also Known As: ChemDiv1_004832, BAS 02072490, BIM-0046081.P001, AF-399/14425117, 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.27524 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1101.0422 |
Chemical Identifiers
| CAS Number | 325693-42-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)NCCO)CC=C)C |
Product Overview
ChemDiv1_004832 (CAS 325693-42-3), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-hydroxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_004832
Property Insights of ChemDiv1_004832
The XLogP value of 3.27524 indicates that ChemDiv1_004832 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004832. Following Lipinski's Rule of Five, ChemDiv1_004832 has 2 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_004832?
The CAS number of ChemDiv1_004832 is 325693-42-3.
What is the molecular formula of ChemDiv1_004832?
The molecular formula of ChemDiv1_004832 is C21H23N3O3S2.
What is the molecular weight of ChemDiv1_004832?
The molecular weight of ChemDiv1_004832 is 429.12 g/mol.
Where can I buy ChemDiv1_004832?
You can request a quote for ChemDiv1_004832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004832?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.