RefChem:1061602
TL;DR: RefChem:1061602 (CAS 38198-29-7) 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.
diethyl-[(1R,2R)-2-[(3-propoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Also Known As: m-Propoxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride, Carbanilic acid, m-propoxy-, 2-(diethylamino)cyclohexyl ester, hydrochloride, (E)-, 2-(Diethylamino)cyclohexyl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1), diethyl-[(1R,2R)-2-[(3-propoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride, RefChem:1061602
| Molecular Formula | C20H33ClN2O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 38198-29-7 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2[NH+](CC)CC.[Cl-] |
| InChIKey | FNXZFGNCPYUYRK-STYNFMPRSA-N |
Product Overview
RefChem:1061602 (CAS 38198-29-7), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: diethyl-[(1R,2R)-2-[(3-propoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride.
Chemical Property Profile of RefChem:1061602
Property Insights of RefChem:1061602
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061602. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1061602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061602 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:1061602?
The CAS number of RefChem:1061602 is 38198-29-7.
What is the molecular formula of RefChem:1061602?
The molecular formula of RefChem:1061602 is C20H33ClN2O3.
What is the molecular weight of RefChem:1061602?
The molecular weight of RefChem:1061602 is 384.22 g/mol.
Where can I buy RefChem:1061602?
You can request a quote for RefChem:1061602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061602?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.