Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-
TL;DR: Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- (CAS 80735-21-3) 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,16S,18S)-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: 1beta-Hydroxycrabbogenin, Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-, A-spirost-25(27)-ene-1, A,3, A-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 | 80735-21-3 |
|---|---|
| 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-CQOZKXSPSA-N |
Product Overview
Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- (CAS 80735-21-3), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: (1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16S,18S)-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 Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-
Property Insights of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-
The XLogP value of 4.9 indicates that Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- 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 Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-?
The CAS number of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- is 80735-21-3.
What is the molecular formula of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-?
The molecular formula of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- is C27H42O4.
What is the molecular weight of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-?
The molecular weight of Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- is 430.31 g/mol.
Where can I buy Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-?
You can request a quote for Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.