4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
TL;DR: 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) (CAS 38198-48-0) 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.
(4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride
Also Known As: p-Butoxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride, (E)-2-(1-Pyrrolidinyl)cyclohexyl p-butoxycarbanilate hydrochloride, Carbanilic acid, p-butoxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-, (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride, 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
| 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 | 409.0 |
Chemical Identifiers
| CAS Number | 38198-48-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)OC2CCC(CC2)[NH+]3CCCC3.[Cl-] |
| InChIKey | VSUILEGPRURIOX-UHFFFAOYSA-N |
Product Overview
4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) (CAS 38198-48-0), with molecular formula C21H33ClN2O3 and molecular weight 396.22 g/mol. IUPAC: (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride.
Chemical Property Profile of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
Property Insights of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 52.0 Ų, 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) 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 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The CAS number of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is 38198-48-0.
What is the molecular formula of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The molecular formula of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is C21H33ClN2O3.
What is the molecular weight of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
The molecular weight of 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) is 396.22 g/mol.
Where can I buy 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
You can request a quote for 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyrrolidin-1-yl)cyclohexyl (4-butoxyphenyl)carbamate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.