Convallagenin A
TL;DR: Convallagenin A (CAS 17149-95-0) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,18-triol
Also Known As: Convallagenin A, Convallagenin A, (25S)-spirostan-1beta,3beta,5beta-triol, (25S)-5beta-Spirostane-1beta,3beta,5-triol, (25S)-5beta-Spirostan-1beta,3beta,5-triol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 17149-95-0 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@]6([C@@]5([C@@H](C[C@@H](C6)O)O)C)O)C)C)OC1 |
| InChIKey | ZUAUXYWVXMTADI-ZRUUGFNHSA-N |
Product Overview
Convallagenin A (CAS 17149-95-0), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,18-triol.
Chemical Property Profile of Convallagenin A
Property Insights of Convallagenin A
The XLogP value of 4.1 indicates that Convallagenin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Convallagenin A. Following Lipinski's Rule of Five, Convallagenin A has 3 hydrogen bond donor(s) and 5 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 Convallagenin A?
The CAS number of Convallagenin A is 17149-95-0.
What is the molecular formula of Convallagenin A?
The molecular formula of Convallagenin A is C27H44O5.
What is the molecular weight of Convallagenin A?
The molecular weight of Convallagenin A is 448.32 g/mol.
Where can I buy Convallagenin A?
You can request a quote for Convallagenin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Convallagenin A?
Yes, KEHONG BIO provides custom synthesis services for Convallagenin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.