Hemibrevetoxin B
TL;DR: Hemibrevetoxin B (CAS 122271-91-4) is a chemical compound with molecular formula C28H42O7 and molecular weight 490.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-hexa-3,5-dienyl]-6,15-dihydroxy-6,12-dimethyl-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-17-yl]methyl]prop-2-enal
Also Known As: Hemibrevetoxin B, Hemibrevetoxin-B, 2-[[(1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-hexa-3,5-dienyl]-6,15-dihydroxy-6,12-dimethyl-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-17-yl]methyl]prop-2-enal, (19R)-4,8:7,11:10,15:14,19-Tetraanhydro-2,3,5,9,12,13,16,17-octadeoxy-19-[(3Z)-hexa-3,5-dien-1-yl]-11-methyl-18-C-methyl-2-methylidene-D-glycero-D-allo-D-altro-nonadecose, (2R,4abeta,10aalpha,11aalpha,14S,15R)-alpha-Methylene-4alpha,14-dihydroxy-5abeta,14-dimethyl-15-[(Z)-3,5-hexadienyl]dodecahydro-8alpha,9beta-(epoxybutano)-1,5,10-trioxa-1H-cyclohepta[b]naphthalene-2alpha-propanal
| Molecular Formula | C28H42O7 |
|---|---|
| Molecular Weight | 490.29 g/mol |
| LogP | 3.5662 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.29306 |
| Heavy Atoms | 35 |
| Complexity | 807.1275 |
Chemical Identifiers
| CAS Number | 122271-91-4 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@@H](CC[C@]([C@H](O3)CC/C=C\C=C)(C)O)O[C@H]1C[C@@H]4[C@@H](O2)[C@H](C[C@H](O4)CC(=C)C=O)O |
Product Overview
Hemibrevetoxin B (CAS 122271-91-4), with molecular formula C28H42O7 and molecular weight 490.29 g/mol. IUPAC: 2-[[(1S,3R,6S,7R,9S,12R,14S,15S,17R,19R)-7-[(3Z)-hexa-3,5-dienyl]-6,15-dihydroxy-6,12-dimethyl-2,8,13,18-tetraoxatetracyclo[10.8.0.03,9.014,19]icosan-17-yl]methyl]prop-2-enal.
Chemical Property Profile of Hemibrevetoxin B
Property Insights of Hemibrevetoxin B
The XLogP value of 3.5662 indicates that Hemibrevetoxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemibrevetoxin B. Following Lipinski's Rule of Five, Hemibrevetoxin B has 2 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 Hemibrevetoxin B?
The CAS number of Hemibrevetoxin B is 122271-91-4.
What is the molecular formula of Hemibrevetoxin B?
The molecular formula of Hemibrevetoxin B is C28H42O7.
What is the molecular weight of Hemibrevetoxin B?
The molecular weight of Hemibrevetoxin B is 490.29 g/mol.
Where can I buy Hemibrevetoxin B?
You can request a quote for Hemibrevetoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemibrevetoxin B?
Yes, KEHONG BIO provides custom synthesis services for Hemibrevetoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.