RefChem:333025
TL;DR: RefChem:333025 (CAS 60558-12-5) 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.
2-(azepan-1-ium-1-yl)ethyl N-(3-pentoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, m-(pentyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(azepan-1-ium-1-yl)ethyl N-(3-pentoxyphenyl)carbamate chloride, m-(Pentyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride, RefChem:333025
| 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 | 357.0 |
Chemical Identifiers
| CAS Number | 60558-12-5 |
|---|---|
| SMILES | CCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCCC2.[Cl-] |
| InChIKey | IJUPEQYSKDYHFS-UHFFFAOYSA-N |
Product Overview
RefChem:333025 (CAS 60558-12-5), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: 2-(azepan-1-ium-1-yl)ethyl N-(3-pentoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333025
Property Insights of RefChem:333025
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333025. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333025 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333025 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:333025?
The CAS number of RefChem:333025 is 60558-12-5.
What is the molecular formula of RefChem:333025?
The molecular formula of RefChem:333025 is C20H33ClN2O3.
What is the molecular weight of RefChem:333025?
The molecular weight of RefChem:333025 is 384.22 g/mol.
Where can I buy RefChem:333025?
You can request a quote for RefChem:333025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333025?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.