ChemDiv1_004654
TL;DR: ChemDiv1_004654 (CAS 325693-28-5) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_004654, BAS 02072467, BIM-0046256.P001, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide, F0753-0013
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.1342 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 1050.5148 |
Chemical Identifiers
| CAS Number | 325693-28-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CO3)SC4=C2CCC4 |
Product Overview
ChemDiv1_004654 (CAS 325693-28-5), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_004654
Property Insights of ChemDiv1_004654
The XLogP value of 3.1342 indicates that ChemDiv1_004654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004654. Following Lipinski's Rule of Five, ChemDiv1_004654 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_004654?
The CAS number of ChemDiv1_004654 is 325693-28-5.
What is the molecular formula of ChemDiv1_004654?
The molecular formula of ChemDiv1_004654 is C19H19N3O3S2.
What is the molecular weight of ChemDiv1_004654?
The molecular weight of ChemDiv1_004654 is 401.09 g/mol.
Where can I buy ChemDiv1_004654?
You can request a quote for ChemDiv1_004654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004654?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.