RefChem:331895
TL;DR: RefChem:331895 (CAS 71746-32-2) 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-(dimethylamino)cyclohexyl] N-(2-hexoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-(hexyloxy)phenyl)-, 2-(dimethylamino)cyclohexyl ester, monohydrochloride, trans-, (1R,2R)-2-(Dimethylamino)cyclohexyl [2-(hexyloxy)phenyl]carbamate--hydrogen chloride (1/1), [(1R,2R)-2-(dimethylamino)cyclohexyl] N-(2-hexoxyphenyl)carbamate hydrochloride, RefChem:331895
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 5.4888 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 553.9832 |
Chemical Identifiers
| CAS Number | 71746-32-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2N(C)C.Cl |
Product Overview
RefChem:331895 (CAS 71746-32-2), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: [(1R,2R)-2-(dimethylamino)cyclohexyl] N-(2-hexoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of RefChem:331895
Property Insights of RefChem:331895
The XLogP value of 5.4888 indicates that RefChem:331895 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:331895 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331895 has 1 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:331895?
The CAS number of RefChem:331895 is 71746-32-2.
What is the molecular formula of RefChem:331895?
The molecular formula of RefChem:331895 is C21H35ClN2O3.
What is the molecular weight of RefChem:331895?
The molecular weight of RefChem:331895 is 398.23 g/mol.
Where can I buy RefChem:331895?
You can request a quote for RefChem:331895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.