RefChem:327814
TL;DR: RefChem:327814 (CAS 95004-22-1) is a chemical compound with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride
Also Known As: U-1804, p-(2-Cyclohexen-1-yloxy)benzoic acid 3-(2-methyl-1-pyrrolidinyl)propyl ester, Benzoic acid, p-(2-cyclohexen-1-yloxy)-, 3-(2-methyl-1-pyrrolidinyl)propyl ester, hydrochloride, 3-(2-Methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoatechloride, 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride
| Molecular Formula | C21H30ClNO3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.1914 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 95004-22-1 |
|---|---|
| SMILES | CC1CCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OC3CCCC=C3.[Cl-] |
| InChIKey | XOAVVMDWAJSGJI-UHFFFAOYSA-N |
Product Overview
RefChem:327814 (CAS 95004-22-1), with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol. IUPAC: 3-(2-methylpyrrolidin-1-ium-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate chloride.
Chemical Property Profile of RefChem:327814
Property Insights of RefChem:327814
The XLogP value of -0.21 indicates that RefChem:327814 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:327814 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327814 has 1 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:327814?
The CAS number of RefChem:327814 is 95004-22-1.
What is the molecular formula of RefChem:327814?
The molecular formula of RefChem:327814 is C21H30ClNO3.
What is the molecular weight of RefChem:327814?
The molecular weight of RefChem:327814 is 379.19 g/mol.
Where can I buy RefChem:327814?
You can request a quote for RefChem:327814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.