ChemDiv1_007397
TL;DR: ChemDiv1_007397 (CAS 431076-99-2) is a chemical compound with molecular formula C27H25NO6 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanoate
Also Known As: ChemDiv1_007397, BAS 02800366, 2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate, 2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-3-phenyl-propionic acid, 2-(4-methoxyphenyl)-2-oxoethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanoate
| Molecular Formula | C27H25NO6 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 2.8395 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.16818 |
| Heavy Atoms | 34 |
| Complexity | 1125.4026 |
Chemical Identifiers
| CAS Number | 431076-99-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
ChemDiv1_007397 (CAS 431076-99-2), with molecular formula C27H25NO6 and molecular weight 459.17 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanoate.
Chemical Property Profile of ChemDiv1_007397
Property Insights of ChemDiv1_007397
The XLogP value of 2.8395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007397. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007397. Following Lipinski's Rule of Five, ChemDiv1_007397 has 0 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_007397?
The CAS number of ChemDiv1_007397 is 431076-99-2.
What is the molecular formula of ChemDiv1_007397?
The molecular formula of ChemDiv1_007397 is C27H25NO6.
What is the molecular weight of ChemDiv1_007397?
The molecular weight of ChemDiv1_007397 is 459.17 g/mol.
Where can I buy ChemDiv1_007397?
You can request a quote for ChemDiv1_007397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007397?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.