Longikaurin B
TL;DR: Longikaurin B (CAS 75207-66-8) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R,9R,10S,11R,18S)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
Also Known As: Longikaurin B, NCI60_014285, (14S)-6beta,7beta,14-Trihydroxy-15-oxo-5beta,9beta,10xi-7,20-epoxykaur-16-en-18-yl acetate
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 0.948 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 808.9825 |
Chemical Identifiers
| CAS Number | 75207-66-8 |
|---|---|
| SMILES | CC(=O)OCC1(CCCC23[C@@H]1[C@@H]([C@@](C45[C@H]2CC[C@@H]([C@@H]4O)C(=C)C5=O)(OC3)O)O)C |
Product Overview
Longikaurin B (CAS 75207-66-8), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: [(2S,5R,9R,10S,11R,18S)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate.
Chemical Property Profile of Longikaurin B
Property Insights of Longikaurin B
The XLogP value of 0.948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Longikaurin B. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Longikaurin B. Following Lipinski's Rule of Five, Longikaurin B has 3 hydrogen bond donor(s) and 7 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 Longikaurin B?
The CAS number of Longikaurin B is 75207-66-8.
What is the molecular formula of Longikaurin B?
The molecular formula of Longikaurin B is C22H30O7.
What is the molecular weight of Longikaurin B?
The molecular weight of Longikaurin B is 406.20 g/mol.
Where can I buy Longikaurin B?
You can request a quote for Longikaurin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Longikaurin B?
Yes, KEHONG BIO provides custom synthesis services for Longikaurin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.