RefChem:1062045
TL;DR: RefChem:1062045 (CAS 38198-49-1) is a chemical compound with molecular formula C22H35ClN2O3 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-pentoxyphenyl)carbamate chloride
Also Known As: p-Pentyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, p-pentyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-, [(1R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-pentoxyphenyl)carbamate chloride, 2-(Pyrrolidin-1-yl)cyclohexyl (4-(pentyloxy)phenyl)carbamate--hydrogen chloride (1/1), RefChem:1062045
| Molecular Formula | C22H35ClN2O3 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.2336 |
| Heavy Atoms | 28 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 38198-49-1 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCCC2[NH+]3CCCC3.[Cl-] |
| InChIKey | WXVZVDUJBKGWPL-IYZPEQFLSA-N |
Product Overview
RefChem:1062045 (CAS 38198-49-1), with molecular formula C22H35ClN2O3 and molecular weight 410.23 g/mol. IUPAC: [(1R)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-pentoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062045
Property Insights of RefChem:1062045
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062045. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1062045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062045 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:1062045?
The CAS number of RefChem:1062045 is 38198-49-1.
What is the molecular formula of RefChem:1062045?
The molecular formula of RefChem:1062045 is C22H35ClN2O3.
What is the molecular weight of RefChem:1062045?
The molecular weight of RefChem:1062045 is 410.23 g/mol.
Where can I buy RefChem:1062045?
You can request a quote for RefChem:1062045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062045?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.