ChemDiv1_004610
TL;DR: ChemDiv1_004610 (CAS 325693-27-4) is a chemical compound with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv1_004610, BAS 02072466, BIM-0030523.P001, AF-399/14425107, 3-allyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C19H23N3O2S2 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 3.2373 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.12317 |
| Heavy Atoms | 26 |
| Complexity | 909.6255 |
Chemical Identifiers
| CAS Number | 325693-27-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCC3)SC4=C2CCC4 |
Product Overview
ChemDiv1_004610 (CAS 325693-27-4), with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol. IUPAC: 10-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of ChemDiv1_004610
Property Insights of ChemDiv1_004610
The XLogP value of 3.2373 indicates that ChemDiv1_004610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv1_004610 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004610 has 0 hydrogen bond donor(s) and 5 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_004610?
The CAS number of ChemDiv1_004610 is 325693-27-4.
What is the molecular formula of ChemDiv1_004610?
The molecular formula of ChemDiv1_004610 is C19H23N3O2S2.
What is the molecular weight of ChemDiv1_004610?
The molecular weight of ChemDiv1_004610 is 389.12 g/mol.
Where can I buy ChemDiv1_004610?
You can request a quote for ChemDiv1_004610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004610?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.