RefChem:332011
TL;DR: RefChem:332011 (CAS 40712-76-3) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride
Also Known As: (3-(Hexyloxy)phenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochloride, 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride, Carbamic acid, (3-(hexyloxy)phenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochloride, Carbanilic acid, m-hexyloxy-, 1-methyl-2-(1-piperidinyl)ethyl ester, hydrochloride, CARBAMIC ACID, (3-(HEXYLOXY)PHENYL)-, 1-METHYL-2-(1-PIPERIDINYL)ETHYL ESTER, MON
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 40712-76-3 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | MKQCARNEBTZZMP-UHFFFAOYSA-N |
Product Overview
RefChem:332011 (CAS 40712-76-3), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:332011
Property Insights of RefChem:332011
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332011. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:332011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332011 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:332011?
The CAS number of RefChem:332011 is 40712-76-3.
What is the molecular formula of RefChem:332011?
The molecular formula of RefChem:332011 is C21H35ClN2O3.
What is the molecular weight of RefChem:332011?
The molecular weight of RefChem:332011 is 398.23 g/mol.
Where can I buy RefChem:332011?
You can request a quote for RefChem:332011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332011?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.