Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester
TL;DR: Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester (CAS 66928-83-4) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylazepan-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
Also Known As: 1-Methylhexahydro-1H-azepin-2-ylmethyl benzilate, Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester, 1H-Azepine-2-methanol, hexahydro-1-methyl-, benzilate (ester), (1-methylazepan-2-yl)methyl 2-hydroxy-2,2-diphenylacetate, (1-Methylazepan-2-yl)methyl hydroxy(diphenyl)acetate
| Molecular Formula | C22H27NO3 |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 3.3401 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1991 |
| Heavy Atoms | 26 |
| Complexity | 662.342 |
Chemical Identifiers
| CAS Number | 66928-83-4 |
|---|---|
| SMILES | CN1CCCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
Product Overview
Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester (CAS 66928-83-4), with molecular formula C22H27NO3 and molecular weight 353.20 g/mol. IUPAC: (1-methylazepan-2-yl)methyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester
Property Insights of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester
The XLogP value of 3.3401 indicates that Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester has 1 hydrogen bond donor(s) and 4 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 Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester?
The CAS number of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester is 66928-83-4.
What is the molecular formula of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester?
The molecular formula of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester is C22H27NO3.
What is the molecular weight of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester?
The molecular weight of Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester is 353.20 g/mol.
Where can I buy Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester?
You can request a quote for Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 1-methylhexahydro-1H-azepin-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.