RefChem:1081090
TL;DR: RefChem:1081090 (CAS 38198-34-4) is a chemical compound with molecular formula C21H33ClN2O3 and molecular weight 396.22 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-butoxyphenyl)carbamate chloride
Also Known As: (E)-2-(1-Pyrrolidinyl)cyclohexyl m-butoxycarbanilate hydrochloride, m-Butoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, Carbanilic acid, m-butoxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-, [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride, RefChem:1081090
| Molecular Formula | C21H33ClN2O3 |
|---|---|
| Molecular Weight | 396.22 g/mol |
| LogP | 0.41 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.21796 |
| Heavy Atoms | 27 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 38198-34-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCC3.[Cl-] |
| InChIKey | UAJABKFTASSJCB-FKLPMGAJSA-N |
Product Overview
RefChem:1081090 (CAS 38198-34-4), with molecular formula C21H33ClN2O3 and molecular weight 396.22 g/mol. IUPAC: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1081090
Property Insights of RefChem:1081090
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081090. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1081090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081090 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:1081090?
The CAS number of RefChem:1081090 is 38198-34-4.
What is the molecular formula of RefChem:1081090?
The molecular formula of RefChem:1081090 is C21H33ClN2O3.
What is the molecular weight of RefChem:1081090?
The molecular weight of RefChem:1081090 is 396.22 g/mol.
Where can I buy RefChem:1081090?
You can request a quote for RefChem:1081090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.