(Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)
TL;DR: (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) (CAS 124675-91-8) is a chemical compound with molecular formula C22H26ClNO2 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate;hydrochloride
Also Known As: Pyrrolizidinyl-cis-3,8H-3-methyldiphenylacetate hydrochloride, Benzeneacetic acid, alpha-phenyl-, (hexahydro-1H-pyrrolizin-3-yl)methyl ester, hydrochloride,cis-, (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1), [(3R,7aS)-Hexahydro-1H-pyrrolizin-3-yl]methyl diphenylacetate--hydrogen chloride (1/1), [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
| Molecular Formula | C22H26ClNO2 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 4.4103 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.1652 |
| Heavy Atoms | 26 |
| Complexity | 667.09686 |
Chemical Identifiers
| CAS Number | 124675-91-8 |
|---|---|
| SMILES | C1C[C@H]2CC[C@@H](N2C1)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
Product Overview
(Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) (CAS 124675-91-8), with molecular formula C22H26ClNO2 and molecular weight 371.17 g/mol. IUPAC: [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)
Property Insights of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 4.4103 indicates that (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) 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 (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) is 124675-91-8.
What is the molecular formula of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) is C22H26ClNO2.
What is the molecular weight of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) is 371.17 g/mol.
Where can I buy (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--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 (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (Hexahydro-1H-pyrrolizin-3-yl)methyl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.