AB00754596-01
TL;DR: AB00754596-01 (CAS 358312-53-5) is a chemical compound with molecular formula C23H20FN3O and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide
Also Known As: AB00754596-01, (2E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide, (E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide, A2105/0088441, 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide
| Molecular Formula | C23H20FN3O |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 5.08734 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.15903 |
| Heavy Atoms | 28 |
| Complexity | 1101.8663 |
Chemical Identifiers
| CAS Number | 358312-53-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)/C#N |
Product Overview
AB00754596-01 (CAS 358312-53-5), with molecular formula C23H20FN3O and molecular weight 373.16 g/mol. IUPAC: (E)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methylphenyl)prop-2-enamide.
Chemical Property Profile of AB00754596-01
Property Insights of AB00754596-01
The XLogP value of 5.08734 indicates that AB00754596-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, AB00754596-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00754596-01 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00754596-01?
The CAS number of AB00754596-01 is 358312-53-5.
What is the molecular formula of AB00754596-01?
The molecular formula of AB00754596-01 is C23H20FN3O.
What is the molecular weight of AB00754596-01?
The molecular weight of AB00754596-01 is 373.16 g/mol.
Where can I buy AB00754596-01?
You can request a quote for AB00754596-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00754596-01?
Yes, KEHONG BIO provides custom synthesis services for AB00754596-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.