RefChem:333031
TL;DR: RefChem:333031 (CAS 38198-30-0) 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,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethylazanium chloride
Also Known As: (E)-2-(Diethylamino)cyclohexyl m-butoxycarbanilate hydrochloride, m-Butoxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride, Carbanilic acid, m-butoxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-, [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethylazanium chloride, RefChem:333031
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.51 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 38198-30-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OCC[C@@H]2CCCC[C@H]2[NH+](C)C.[Cl-] |
| InChIKey | HFXQIEBZYKZYFV-YFUYRHFLSA-N |
Product Overview
RefChem:333031 (CAS 38198-30-0), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:333031
Property Insights of RefChem:333031
The XLogP value of 0.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333031. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:333031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333031 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:333031?
The CAS number of RefChem:333031 is 38198-30-0.
What is the molecular formula of RefChem:333031?
The molecular formula of RefChem:333031 is C21H35ClN2O3.
What is the molecular weight of RefChem:333031?
The molecular weight of RefChem:333031 is 398.23 g/mol.
Where can I buy RefChem:333031?
You can request a quote for RefChem:333031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.