Convallamarogenin
TL;DR: Convallamarogenin (CAS 16683-27-5) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
Also Known As: Convallamarogenin, Convallamarogenine, Convallamarogenin [MI], 1beta,3beta-Dihydroxy-5beta-spirost-25(27)-ene, 5beta,20beta-Spirost-25(27)-ene-1beta,3beta-diol
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 16683-27-5 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6 |
| InChIKey | XLHFBXMTUNORSV-ZENYHQJXSA-N |
Product Overview
Convallamarogenin (CAS 16683-27-5), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol.
Chemical Property Profile of Convallamarogenin
Property Insights of Convallamarogenin
The XLogP value of 4.9 indicates that Convallamarogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Convallamarogenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Convallamarogenin 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 Convallamarogenin?
The CAS number of Convallamarogenin is 16683-27-5.
What is the molecular formula of Convallamarogenin?
The molecular formula of Convallamarogenin is C27H42O4.
What is the molecular weight of Convallamarogenin?
The molecular weight of Convallamarogenin is 430.31 g/mol.
Where can I buy Convallamarogenin?
You can request a quote for Convallamarogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Convallamarogenin?
Yes, KEHONG BIO provides custom synthesis services for Convallamarogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.