AB00109255-01
TL;DR: AB00109255-01 (CAS 955857-63-3) is a chemical compound with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-2-[(4-acetamidobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
Also Known As: AB00109255-01, (E)-ethyl 4-(2-(4-acetamidobenzamido)-3-phenylacrylamido)benzoate, ethyl 4-[(2-{[4-(acetylamino)benzoyl]amino}-3-phenylacryloyl)amino]benzoate, ethyl 4-[[(E)-2-[(4-acetamidobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate, ethyl 4-{[(2E)-2-({[4-(acetylamino)phenyl]carbonyl}amino)-3-phenylprop-2-enoyl]amino}benzoate
| Molecular Formula | C27H25N3O5 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 4.2313 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1794 |
| Heavy Atoms | 35 |
| Complexity | 1234.0731 |
Chemical Identifiers
| CAS Number | 955857-63-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)NC(=O)C |
Product Overview
AB00109255-01 (CAS 955857-63-3), with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol. IUPAC: ethyl 4-[[(E)-2-[(4-acetamidobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of AB00109255-01
Property Insights of AB00109255-01
The XLogP value of 4.2313 indicates that AB00109255-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109255-01. Following Lipinski's Rule of Five, AB00109255-01 has 3 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 AB00109255-01?
The CAS number of AB00109255-01 is 955857-63-3.
What is the molecular formula of AB00109255-01?
The molecular formula of AB00109255-01 is C27H25N3O5.
What is the molecular weight of AB00109255-01?
The molecular weight of AB00109255-01 is 471.18 g/mol.
Where can I buy AB00109255-01?
You can request a quote for AB00109255-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109255-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109255-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.