Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester
TL;DR: Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester (CAS 33531-53-2) is a chemical compound with molecular formula C14H19BrN2O2 and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethylpiperidin-3-yl) N-(3-bromophenyl)carbamate
Also Known As: N-Ethyl-3-piperidinyl m-bromocarbanilate, m-Bromocarbanilic acid, N-ethyl-3-piperidinyl ester, m-Bromocarbanilicacid1-ethyl-3-piperidinylester, 5-21-01-00041 (Beilstein Handbook Reference), CARBANILIC ACID, m-BROMO-, N-ETHYL-3-PIPERIDINYL ESTER
| Molecular Formula | C14H19BrN2O2 |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.063 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 33531-53-2 |
|---|---|
| SMILES | CCN1CCCC(C1)OC(=O)NC2=CC(=CC=C2)Br |
| InChIKey | DMBFFBKRQNVNGD-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester (CAS 33531-53-2), with molecular formula C14H19BrN2O2 and molecular weight 326.06 g/mol. IUPAC: (1-ethylpiperidin-3-yl) N-(3-bromophenyl)carbamate.
Chemical Property Profile of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester
Property Insights of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester
The XLogP value of 3.2 indicates that Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester 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 Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester?
The CAS number of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester is 33531-53-2.
What is the molecular formula of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester?
The molecular formula of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester is C14H19BrN2O2.
What is the molecular weight of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester?
The molecular weight of Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester is 326.06 g/mol.
Where can I buy Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester?
You can request a quote for Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-bromo-, N-ethyl-3-piperidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.