22-epi-Hippurin-1
TL;DR: 22-epi-Hippurin-1 (CAS 68130-28-9) is a chemical compound with molecular formula C30H48O7 and molecular weight 520.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,15R,16S,18S)-7,11,16-trihydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-15-yl] acetate
Also Known As: Hippurin, 22-epi-Hippurin-1, Epihippurin 1, J1.314.267J, (22S)-1alpha-acetoxy-5alpha-furospirostan-3alpha,11beta,20R-triol
| Molecular Formula | C30H48O7 |
|---|---|
| Molecular Weight | 520.34 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 520.34 |
| Heavy Atoms | 37 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 68130-28-9 |
|---|---|
| SMILES | C[C@H]1C[C@@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@H](C6)O)OC(=O)C)C)O)C)(C)O)OC1(C)C |
| InChIKey | HRJBSUKSBJIMML-JQXFSTGHSA-N |
Product Overview
22-epi-Hippurin-1 (CAS 68130-28-9), with molecular formula C30H48O7 and molecular weight 520.34 g/mol. IUPAC: [(1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,15R,16S,18S)-7,11,16-trihydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-15-yl] acetate.
Chemical Property Profile of 22-epi-Hippurin-1
Property Insights of 22-epi-Hippurin-1
The XLogP value of 3.8 indicates that 22-epi-Hippurin-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-epi-Hippurin-1. Following Lipinski's Rule of Five, 22-epi-Hippurin-1 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 22-epi-Hippurin-1?
The CAS number of 22-epi-Hippurin-1 is 68130-28-9.
What is the molecular formula of 22-epi-Hippurin-1?
The molecular formula of 22-epi-Hippurin-1 is C30H48O7.
What is the molecular weight of 22-epi-Hippurin-1?
The molecular weight of 22-epi-Hippurin-1 is 520.34 g/mol.
Where can I buy 22-epi-Hippurin-1?
You can request a quote for 22-epi-Hippurin-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-epi-Hippurin-1?
Yes, KEHONG BIO provides custom synthesis services for 22-epi-Hippurin-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.