RefChem:1049303
TL;DR: RefChem:1049303 (CAS 73747-74-7) is a chemical compound with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclohexyl-, 1-methyl-3-pyrrolidinylmethyl ester, hydrochloride, Cyclohexaneglycolic acid, alpha-phenyl-, 1-methyl-3-pyrrolidylmethyl ester, hydrochloride, (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride, (1-Methylpyrrolidin-3-yl)methyl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, (1-methyl-3-pyrrolidinyl)methyl ester, hydrochloride
| Molecular Formula | C20H30ClNO3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1914 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 73747-74-7 |
|---|---|
| SMILES | C[NH+]1CCC(C1)COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | WAXMYLLMWQHLOU-UHFFFAOYSA-N |
Product Overview
RefChem:1049303 (CAS 73747-74-7), with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol. IUPAC: (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1049303
Property Insights of RefChem:1049303
The XLogP value of -1.46 indicates that RefChem:1049303 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1049303 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049303 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:1049303?
The CAS number of RefChem:1049303 is 73747-74-7.
What is the molecular formula of RefChem:1049303?
The molecular formula of RefChem:1049303 is C20H30ClNO3.
What is the molecular weight of RefChem:1049303?
The molecular weight of RefChem:1049303 is 367.19 g/mol.
Where can I buy RefChem:1049303?
You can request a quote for RefChem:1049303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049303?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.