Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride
TL;DR: Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride (CAS 100836-77-9) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Also Known As: 3-Phenylpropyl N-(2-pyrrolidinylethyl)carbamate hydrochloride, 3-phenylpropyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride, CARBAMIC ACID, (2-PYRROLIDINYLETHYL)-, 3-PHENYLPROPYL ESTER, MONOHYDROCHLORIDE, 3-phenylpropylN-(2-pyrrolidin-1-ium-1-ylethyl)carbamate, 1-(2-{[(3-phenylpropoxy)carbonyl]amino}ethyl)pyrrolidinium chloride
| Molecular Formula | C16H25ClN2O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.16046 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 100836-77-9 |
|---|---|
| SMILES | C1CC[NH+](C1)CCNC(=O)OCCCC2=CC=CC=C2.[Cl-] |
| InChIKey | UQJYAHYLAYAGJS-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride (CAS 100836-77-9), with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol. IUPAC: 3-phenylpropyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride.
Chemical Property Profile of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride
Property Insights of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride
The XLogP value of -1.97 indicates that Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride 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, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride 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, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride?
The CAS number of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride is 100836-77-9.
What is the molecular formula of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride?
The molecular formula of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride is C16H25ClN2O2.
What is the molecular weight of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride?
The molecular weight of Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride is 312.16 g/mol.
Where can I buy Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride?
You can request a quote for Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-pyrrolidinylethyl)-, 3-phenylpropyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.