B5167
TL;DR: B5167 (CAS 29135-16-8) is a chemical compound with molecular formula C24H35NO4 and molecular weight 401.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxo-1-phenylethyl] 2-propylpentanoate
Also Known As: Di-n-propylacetyl-homatropine, Di-n-propylacetyl-homatropine [French], Benzeneacetic acid, alpha-((1-oxo-2-propylpentyl)oxy)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, 1-alphaH,5-alphaH-Tropan-3-alpha-ol, mandelate (ester), 2-propylvaleraste (ester), [2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxo-1-phenylethyl] 2-propylpentanoate
| Molecular Formula | C24H35NO4 |
|---|---|
| Molecular Weight | 401.26 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 401.25662 |
| Heavy Atoms | 29 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 29135-16-8 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C |
| InChIKey | YTMJGZOPPXTXGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
B5167 (CAS 29135-16-8), with molecular formula C24H35NO4 and molecular weight 401.26 g/mol. IUPAC: [2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxo-1-phenylethyl] 2-propylpentanoate.
Chemical Property Profile of B5167
Property Insights of B5167
The XLogP value of 5.3 indicates that B5167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, B5167 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B5167 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B5167?
The CAS number of B5167 is 29135-16-8.
What is the molecular formula of B5167?
The molecular formula of B5167 is C24H35NO4.
What is the molecular weight of B5167?
The molecular weight of B5167 is 401.26 g/mol.
Where can I buy B5167?
You can request a quote for B5167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B5167?
Yes, KEHONG BIO provides custom synthesis services for B5167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.