ChemDiv1_004700
TL;DR: ChemDiv1_004700 (CAS 325693-39-8) is a chemical compound with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxyethyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
Also Known As: ChemDiv1_004700, BAS 02072485, BIM-0030583.P001, AF-399/14425116, N-(2-hydroxyethyl){4-[(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))methyl]phenyl}carboxamide
| Molecular Formula | C23H25N3O3S2 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 3.5372 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.13373 |
| Heavy Atoms | 31 |
| Complexity | 1165.5088 |
Chemical Identifiers
| CAS Number | 325693-39-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCO)SC4=C2CCCC4 |
Product Overview
ChemDiv1_004700 (CAS 325693-39-8), with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol. IUPAC: N-(2-hydroxyethyl)-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of ChemDiv1_004700
Property Insights of ChemDiv1_004700
The XLogP value of 3.5372 indicates that ChemDiv1_004700 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_004700. Following Lipinski's Rule of Five, ChemDiv1_004700 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_004700?
The CAS number of ChemDiv1_004700 is 325693-39-8.
What is the molecular formula of ChemDiv1_004700?
The molecular formula of ChemDiv1_004700 is C23H25N3O3S2.
What is the molecular weight of ChemDiv1_004700?
The molecular weight of ChemDiv1_004700 is 455.13 g/mol.
Where can I buy ChemDiv1_004700?
You can request a quote for ChemDiv1_004700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004700?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.