Benzilic acid, 3-tropanyl ester, hydrochloride
TL;DR: Benzilic acid, 3-tropanyl ester, hydrochloride (CAS 1674-94-8) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: Spasmo-Inalgon, Tropine benzylate HCI, Tropine benzilate hydrochloride, 3-Tropyl benzilate hydrochloride, glipin, hydrochloride, (endo)-isomer
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.51 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 1674-94-8 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl |
| InChIKey | KBGDDPWSFYFMKX-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 3-tropanyl ester, hydrochloride (CAS 1674-94-8), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzilic acid, 3-tropanyl ester, hydrochloride
Property Insights of Benzilic acid, 3-tropanyl ester, hydrochloride
The XLogP value of 3.51 indicates that Benzilic acid, 3-tropanyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzilic acid, 3-tropanyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 3-tropanyl ester, hydrochloride 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 Benzilic acid, 3-tropanyl ester, hydrochloride?
The CAS number of Benzilic acid, 3-tropanyl ester, hydrochloride is 1674-94-8.
What is the molecular formula of Benzilic acid, 3-tropanyl ester, hydrochloride?
The molecular formula of Benzilic acid, 3-tropanyl ester, hydrochloride is C22H26ClNO3.
What is the molecular weight of Benzilic acid, 3-tropanyl ester, hydrochloride?
The molecular weight of Benzilic acid, 3-tropanyl ester, hydrochloride is 387.16 g/mol.
Where can I buy Benzilic acid, 3-tropanyl ester, hydrochloride?
You can request a quote for Benzilic acid, 3-tropanyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 3-tropanyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 3-tropanyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.