Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-
TL;DR: Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- (CAS 124753-60-2) is a chemical compound with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate;hydrochloride
Also Known As: Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-, trans-3,8H-3-Methylpyrrolizidinyl-trans-5,8H-5-methyldiphenylacetate hydrochloride, cis-3,8H-3-Methylpyrrolizidinyl-cis-5,8H-5-methyldiphenylacetate hydrochloride, [(3R,5R,7aR)-5-Methylhexahydro-1H-pyrrolizin-3-yl]methyl diphenylacetate--hydrogen chloride (1/1), [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
| Molecular Formula | C23H28ClNO2 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 4.7988 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18085 |
| Heavy Atoms | 27 |
| Complexity | 697.0583 |
Chemical Identifiers
| CAS Number | 124753-60-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2N1[C@H](CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
Product Overview
Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- (CAS 124753-60-2), with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol. IUPAC: [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-
Property Insights of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-
The XLogP value of 4.7988 indicates that Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- has 0 hydrogen bond donor(s) and 3 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 Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-?
The CAS number of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- is 124753-60-2.
What is the molecular formula of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-?
The molecular formula of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- is C23H28ClNO2.
What is the molecular weight of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-?
The molecular weight of Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- is 385.18 g/mol.
Where can I buy Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-?
You can request a quote for Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-phenyl-, (hexahydro-5-methyl-1H-pyrrolizin-3-yl)methyl ester, hydrochloride, (3-alpha,5-alpha,7a-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.