RefChem:1081125
TL;DR: RefChem:1081125 (CAS 4701-96-6) 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.
[(1R,2R)-2-(diethylamino)cyclohexyl] N-(4-butoxyphenyl)carbamate;hydrochloride
Also Known As: KST-1A4936, p-Butoxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride, (1r,2r)-2-(diethylamino)cyclohexyl(4-butoxyphenyl)carbamate hydrochloride(1:1), (E)-2-(Diethylamino)cyclohexyl p-butoxycarbanilate hydrochloride, Carbanilic acid, p-butoxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 5.4888 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 4701-96-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCC[C@H]2N(CC)CC.Cl |
| InChIKey | LTTCRSCMGGGPAQ-GZJHNZOKSA-N |
Product Overview
RefChem:1081125 (CAS 4701-96-6), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: [(1R,2R)-2-(diethylamino)cyclohexyl] N-(4-butoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of RefChem:1081125
Property Insights of RefChem:1081125
The XLogP value of 5.4888 indicates that RefChem:1081125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:1081125 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081125 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1081125?
The CAS number of RefChem:1081125 is 4701-96-6.
What is the molecular formula of RefChem:1081125?
The molecular formula of RefChem:1081125 is C21H35ClN2O3.
What is the molecular weight of RefChem:1081125?
The molecular weight of RefChem:1081125 is 398.23 g/mol.
Where can I buy RefChem:1081125?
You can request a quote for RefChem:1081125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081125?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.