ChemDiv1_008296
TL;DR: ChemDiv1_008296 (CAS 315693-10-8) is a chemical compound with molecular formula C24H25N3O5S2 and molecular weight 499.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: ChemDiv1_008296, DivK1c_002936, CDS1_001896, UPCMLD0ENAT5379109:001, AB00685267-01
| Molecular Formula | C24H25N3O5S2 |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 4.57262 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.12357 |
| Heavy Atoms | 34 |
| Complexity | 1234.9672 |
Chemical Identifiers
| CAS Number | 315693-10-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)C(=O)OCC |
Product Overview
ChemDiv1_008296 (CAS 315693-10-8), with molecular formula C24H25N3O5S2 and molecular weight 499.12 g/mol. IUPAC: diethyl 5-[[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of ChemDiv1_008296
Property Insights of ChemDiv1_008296
The XLogP value of 4.57262 indicates that ChemDiv1_008296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008296. Following Lipinski's Rule of Five, ChemDiv1_008296 has 1 hydrogen bond donor(s) and 9 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_008296?
The CAS number of ChemDiv1_008296 is 315693-10-8.
What is the molecular formula of ChemDiv1_008296?
The molecular formula of ChemDiv1_008296 is C24H25N3O5S2.
What is the molecular weight of ChemDiv1_008296?
The molecular weight of ChemDiv1_008296 is 499.12 g/mol.
Where can I buy ChemDiv1_008296?
You can request a quote for ChemDiv1_008296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008296?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.