1a,1b-Dihomothromboxane B2
TL;DR: 1a,1b-Dihomothromboxane B2 (CAS 81827-76-1) is a chemical compound with molecular formula C22H38O6 and molecular weight 398.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]non-7-enoic acid
Also Known As: 1a,1b-Dihomothromboxane B2, 1a,1b-Dihomo-thromboxane B2, (E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]non-7-enoic acid, 7-Nonenoic acid, 9-(tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1-octenyl)-2H-pyran-3-yl)-, RefChem:79570
| Molecular Formula | C22H38O6 |
|---|---|
| Molecular Weight | 398.27 g/mol |
| LogP | 3.5496 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 398.26685 |
| Heavy Atoms | 28 |
| Complexity | 475.64743 |
Chemical Identifiers
| CAS Number | 81827-76-1 |
|---|---|
| SMILES | CCCCCC(/C=C/C1C(C(CC(O1)O)O)C/C=C/CCCCCC(=O)O)O |
Product Overview
1a,1b-Dihomothromboxane B2 (CAS 81827-76-1), with molecular formula C22H38O6 and molecular weight 398.27 g/mol. IUPAC: (E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]non-7-enoic acid.
Chemical Property Profile of 1a,1b-Dihomothromboxane B2
Property Insights of 1a,1b-Dihomothromboxane B2
The XLogP value of 3.5496 indicates that 1a,1b-Dihomothromboxane B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1a,1b-Dihomothromboxane B2. Following Lipinski's Rule of Five, 1a,1b-Dihomothromboxane B2 has 4 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 1a,1b-Dihomothromboxane B2?
The CAS number of 1a,1b-Dihomothromboxane B2 is 81827-76-1.
What is the molecular formula of 1a,1b-Dihomothromboxane B2?
The molecular formula of 1a,1b-Dihomothromboxane B2 is C22H38O6.
What is the molecular weight of 1a,1b-Dihomothromboxane B2?
The molecular weight of 1a,1b-Dihomothromboxane B2 is 398.27 g/mol.
Where can I buy 1a,1b-Dihomothromboxane B2?
You can request a quote for 1a,1b-Dihomothromboxane B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,1b-Dihomothromboxane B2?
Yes, KEHONG BIO provides custom synthesis services for 1a,1b-Dihomothromboxane B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.