ChemDiv1_004742
TL;DR: ChemDiv1_004742 (CAS 325693-30-9) is a chemical compound with molecular formula C18H23N3O4S2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-hydroxyethyl)-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_004742, BAS 02072469, BIM-0045874.P001, 2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N,N-bis(2-hydroxyethyl)acetamide, AF-399/14425109
| Molecular Formula | C18H23N3O4S2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 1.038 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.113 |
| Heavy Atoms | 27 |
| Complexity | 900.12427 |
Chemical Identifiers
| CAS Number | 325693-30-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N(CCO)CCO)SC3=C2CCC3 |
Product Overview
ChemDiv1_004742 (CAS 325693-30-9), with molecular formula C18H23N3O4S2 and molecular weight 409.11 g/mol. IUPAC: N,N-bis(2-hydroxyethyl)-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_004742
Property Insights of ChemDiv1_004742
The XLogP value of 1.038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004742. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004742. Following Lipinski's Rule of Five, ChemDiv1_004742 has 2 hydrogen bond donor(s) and 7 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_004742?
The CAS number of ChemDiv1_004742 is 325693-30-9.
What is the molecular formula of ChemDiv1_004742?
The molecular formula of ChemDiv1_004742 is C18H23N3O4S2.
What is the molecular weight of ChemDiv1_004742?
The molecular weight of ChemDiv1_004742 is 409.11 g/mol.
Where can I buy ChemDiv1_004742?
You can request a quote for ChemDiv1_004742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004742?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.