RefChem:1062052
TL;DR: RefChem:1062052 (CAS 38198-33-3) is a chemical compound with molecular formula C20H31ClN2O3 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride
Also Known As: m-Propoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, m-propoxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-, [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride, 2-(Pyrrolidin-1-yl)cyclohexyl hydrogen (3-propoxyphenyl)carbonimidate--hydrogen chloride (1/1), RefChem:1062052
| Molecular Formula | C20H31ClN2O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 0.02 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.20233 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 38198-33-3 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCC3.[Cl-] |
| InChIKey | KNIXEUVBTIDSPR-HLRBRJAUSA-N |
Product Overview
RefChem:1062052 (CAS 38198-33-3), with molecular formula C20H31ClN2O3 and molecular weight 382.20 g/mol. IUPAC: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062052
Property Insights of RefChem:1062052
The XLogP value of 0.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062052. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1062052 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062052 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:1062052?
The CAS number of RefChem:1062052 is 38198-33-3.
What is the molecular formula of RefChem:1062052?
The molecular formula of RefChem:1062052 is C20H31ClN2O3.
What is the molecular weight of RefChem:1062052?
The molecular weight of RefChem:1062052 is 382.20 g/mol.
Where can I buy RefChem:1062052?
You can request a quote for RefChem:1062052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.