RefChem:1055189
TL;DR: RefChem:1055189 (CAS 105384-10-9) is a chemical compound with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butylpiperidin-1-ium-4-yl) N-(2-butoxyphenyl)carbamate chloride
Also Known As: o-Butoxycarbanilic acid 1-butyl-4-piperidyl ester hydrochloride, 4-{[(2-butoxyphenyl)carbamoyl]oxy}-1-butylpiperidinium chloride, Carbamic acid, (2-butoxyphenyl)-, 1-butyl-4-piperidinyl ester, monohydrochloride, CARBANILIC ACID, o-BUTOXY-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, (1-butylpiperidin-1-ium-4-yl) N-(2-butoxyphenyl)carbamate chloride
| Molecular Formula | C20H33ClN2O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 105384-10-9 |
|---|---|
| SMILES | CCCC[NH+]1CCC(CC1)OC(=O)NC2=CC=CC=C2OCCCC.[Cl-] |
| InChIKey | JNBPLOWDLDFAPJ-UHFFFAOYSA-N |
Product Overview
RefChem:1055189 (CAS 105384-10-9), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: (1-butylpiperidin-1-ium-4-yl) N-(2-butoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1055189
Property Insights of RefChem:1055189
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055189. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1055189 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055189 has 2 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 RefChem:1055189?
The CAS number of RefChem:1055189 is 105384-10-9.
What is the molecular formula of RefChem:1055189?
The molecular formula of RefChem:1055189 is C20H33ClN2O3.
What is the molecular weight of RefChem:1055189?
The molecular weight of RefChem:1055189 is 384.22 g/mol.
Where can I buy RefChem:1055189?
You can request a quote for RefChem:1055189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.