RefChem:1062049
TL;DR: RefChem:1062049 (CAS 17095-89-5) is a chemical compound with molecular formula C18H26Cl2N2O2 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
Also Known As: 2-Chloro-6-methylcarbanilic acid 2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, 2-chloro-6-methyl-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride, (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamatechloride, (2-Pyrrolidin-1-ium-1-ylcyclohexyl)n-(2-chloro-6-methylphenyl)carbamatechloride
| Molecular Formula | C18H26Cl2N2O2 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 0.19 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.13715 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 17095-89-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2[NH+]3CCCC3.[Cl-] |
| InChIKey | NYVIKTJETCWIMY-UHFFFAOYSA-N |
Product Overview
RefChem:1062049 (CAS 17095-89-5), with molecular formula C18H26Cl2N2O2 and molecular weight 372.14 g/mol. IUPAC: (2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062049
Property Insights of RefChem:1062049
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062049. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1062049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062049 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 RefChem:1062049?
The CAS number of RefChem:1062049 is 17095-89-5.
What is the molecular formula of RefChem:1062049?
The molecular formula of RefChem:1062049 is C18H26Cl2N2O2.
What is the molecular weight of RefChem:1062049?
The molecular weight of RefChem:1062049 is 372.14 g/mol.
Where can I buy RefChem:1062049?
You can request a quote for RefChem:1062049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062049?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.