ChemDiv1_004656
TL;DR: ChemDiv1_004656 (CAS 325693-38-7) is a chemical compound with molecular formula C24H27N3O3S2 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-hydroxypropyl)-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_004656, BAS 02072484, AF-399/14425115, 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide, F0753-0030
| Molecular Formula | C24H27N3O3S2 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 3.9273 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.14938 |
| Heavy Atoms | 32 |
| Complexity | 1181.903 |
Chemical Identifiers
| CAS Number | 325693-38-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCCO)SC4=C2CCCC4 |
Product Overview
ChemDiv1_004656 (CAS 325693-38-7), with molecular formula C24H27N3O3S2 and molecular weight 469.15 g/mol. IUPAC: N-(3-hydroxypropyl)-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_004656
Property Insights of ChemDiv1_004656
The XLogP value of 3.9273 indicates that ChemDiv1_004656 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_004656. Following Lipinski's Rule of Five, ChemDiv1_004656 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_004656?
The CAS number of ChemDiv1_004656 is 325693-38-7.
What is the molecular formula of ChemDiv1_004656?
The molecular formula of ChemDiv1_004656 is C24H27N3O3S2.
What is the molecular weight of ChemDiv1_004656?
The molecular weight of ChemDiv1_004656 is 469.15 g/mol.
Where can I buy ChemDiv1_004656?
You can request a quote for ChemDiv1_004656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004656?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.