RefChem:1061601
TL;DR: RefChem:1061601 (CAS 38198-32-2) is a chemical compound with molecular formula C23H39ClN2O3 and molecular weight 426.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Also Known As: (E)-2-(Diethylamino)cyclohexyl m-hexyloxycarbanilate hydrochloride, m-Hexyloxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride, Carbanilic acid, m-hexyloxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-, diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride, 2-(Diethylamino)cyclohexyl hydrogen (3-(hexyloxy)phenyl)carbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C23H39ClN2O3 |
|---|---|
| Molecular Weight | 426.26 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.26492 |
| Heavy Atoms | 29 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 38198-32-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+](CC)CC.[Cl-] |
| InChIKey | FZVASDVKRPBOHR-VROPFNGYSA-N |
Product Overview
RefChem:1061601 (CAS 38198-32-2), with molecular formula C23H39ClN2O3 and molecular weight 426.26 g/mol. IUPAC: diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride.
Chemical Property Profile of RefChem:1061601
Property Insights of RefChem:1061601
The XLogP value of 1.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061601. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1061601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061601 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:1061601?
The CAS number of RefChem:1061601 is 38198-32-2.
What is the molecular formula of RefChem:1061601?
The molecular formula of RefChem:1061601 is C23H39ClN2O3.
What is the molecular weight of RefChem:1061601?
The molecular weight of RefChem:1061601 is 426.26 g/mol.
Where can I buy RefChem:1061601?
You can request a quote for RefChem:1061601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.