ChemDiv1_004788
TL;DR: ChemDiv1_004788 (CAS 394236-33-0) is a chemical compound with molecular formula C23H28N4O6S and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperazin-1-yl]sulfonylphenyl]carbamate
Also Known As: ChemDiv1_004788, BAS 02072488, methyl (4-((4-(2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)ethyl)piperazin-1-yl)sulfonyl)phenyl)carbamate, AB00453802-06, AF-399/14425130
| Molecular Formula | C23H28N4O6S |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 0.9783 |
| Topological Polar Surface Area | 116.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.17294 |
| Heavy Atoms | 34 |
| Complexity | 1096.6194 |
Chemical Identifiers
| CAS Number | 394236-33-0 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
ChemDiv1_004788 (CAS 394236-33-0), with molecular formula C23H28N4O6S and molecular weight 488.17 g/mol. IUPAC: methyl N-[4-[4-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperazin-1-yl]sulfonylphenyl]carbamate.
Chemical Property Profile of ChemDiv1_004788
Property Insights of ChemDiv1_004788
The XLogP value of 0.9783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004788. The TPSA of 116.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004788. Following Lipinski's Rule of Five, ChemDiv1_004788 has 1 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_004788?
The CAS number of ChemDiv1_004788 is 394236-33-0.
What is the molecular formula of ChemDiv1_004788?
The molecular formula of ChemDiv1_004788 is C23H28N4O6S.
What is the molecular weight of ChemDiv1_004788?
The molecular weight of ChemDiv1_004788 is 488.17 g/mol.
Where can I buy ChemDiv1_004788?
You can request a quote for ChemDiv1_004788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004788?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.