Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride
TL;DR: Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride (CAS 77985-30-9) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-methylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Also Known As: C 5312, N-(2-Pyrrolidinylethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochloride, CARBAMIC ACID, N-(2-PYRROLIDINYLETHYL)-, 6-CHLORO-o-TOLYL ESTER, HYDROCHLORIDE, (2-Chloro-6-methylphenyl)n-(2-pyrrolidin-1-ium-1-ylethyl)carbamatechloride, (2-chloro-6-methylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | -1.58 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 77985-30-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)OC(=O)NCC[NH+]2CCCC2.[Cl-] |
| InChIKey | WDEMVOONXMNNLO-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride (CAS 77985-30-9), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: (2-chloro-6-methylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride.
Chemical Property Profile of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride
Property Insights of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride
The XLogP value of -1.58 indicates that Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride has 2 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 Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride?
The CAS number of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride is 77985-30-9.
What is the molecular formula of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride?
The molecular formula of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride is C14H20Cl2N2O2.
What is the molecular weight of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride?
The molecular weight of Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride is 318.09 g/mol.
Where can I buy Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride?
You can request a quote for Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.