AB00118540-01
TL;DR: AB00118540-01 (CAS 431938-89-5) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
Also Known As: AB00118540-01, (E)-3-(2-methoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide, 3-(2-methoxyphenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide, (2E)-3-(2-methoxyphenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]prop-2-enamide, (E)-3-(2-methoxyphenyl)-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)acrylamide
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.573 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 748.9925 |
Chemical Identifiers
| CAS Number | 431938-89-5 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/C(=O)NCC2(CCOCC2)C3=CC=CC=C3 |
Product Overview
AB00118540-01 (CAS 431938-89-5), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: (E)-3-(2-methoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide.
Chemical Property Profile of AB00118540-01
Property Insights of AB00118540-01
The XLogP value of 3.573 indicates that AB00118540-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, AB00118540-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00118540-01 has 1 hydrogen bond donor(s) and 3 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 AB00118540-01?
The CAS number of AB00118540-01 is 431938-89-5.
What is the molecular formula of AB00118540-01?
The molecular formula of AB00118540-01 is C22H25NO3.
What is the molecular weight of AB00118540-01?
The molecular weight of AB00118540-01 is 351.18 g/mol.
Where can I buy AB00118540-01?
You can request a quote for AB00118540-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118540-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118540-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.