RefChem:1066601
TL;DR: RefChem:1066601 (CAS 67293-05-4) is a chemical compound with molecular formula C20H27ClN2O2 and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-ium-1-yl)propyl N-naphthalen-1-ylcarbamate chloride
Also Known As: 1-NAPHTHALENECARBAMIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-Methylpiperidin-1-ium-1-yl)propyl N-naphthalen-1-ylcarbamatechloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl N-naphthalen-1-ylcarbamate chloride, Carbamic acid, 1-naphthalenyl-, 3-(2-methyl-1-piperidinyl)propyl ester, monohydrochloride, 3-(2-Methylpiperidin-1-yl)propyl hydrogen naphthalen-1-ylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C20H27ClN2O2 |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.17612 |
| Heavy Atoms | 25 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 67293-05-4 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)NC2=CC=CC3=CC=CC=C32.[Cl-] |
| InChIKey | FXKQHBRZJFERTI-UHFFFAOYSA-N |
Product Overview
RefChem:1066601 (CAS 67293-05-4), with molecular formula C20H27ClN2O2 and molecular weight 362.18 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl N-naphthalen-1-ylcarbamate chloride.
Chemical Property Profile of RefChem:1066601
Property Insights of RefChem:1066601
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066601. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1066601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066601 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:1066601?
The CAS number of RefChem:1066601 is 67293-05-4.
What is the molecular formula of RefChem:1066601?
The molecular formula of RefChem:1066601 is C20H27ClN2O2.
What is the molecular weight of RefChem:1066601?
The molecular weight of RefChem:1066601 is 362.18 g/mol.
Where can I buy RefChem:1066601?
You can request a quote for RefChem:1066601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.