7'-Carboxyzearalane
TL;DR: 7'-Carboxyzearalane (CAS 36405-85-3) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carboxylic acid
Also Known As: 7'-Carboxyzearalane, 14,16-dihydroxy-3-methyl-1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1h-2-benzoxacyclotetradecine-6-carboxylic acid, 15,17-dihydroxy-11-methyl-13-oxo-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-8-carboxylic acid, 15,17-dihydroxy-11-methyl-13-oxo-12-oxabicyclo[12.4.0]octadeca-15,17,19-triene-8-carboxylic Acid, 1H-2-Benzoxacyclotetradecin-6-carboxylic acid, 3,4,5,6,7,8,9,10,11,12-decahydro-14,16-dihydroxy-3-methyl-1-oxo-
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 36405-85-3 |
|---|---|
| SMILES | CC1CCC(CCCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)C(=O)O |
| InChIKey | NDRRCCNMYLAAJK-UHFFFAOYSA-N |
Product Overview
7'-Carboxyzearalane (CAS 36405-85-3), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: 16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carboxylic acid.
Chemical Property Profile of 7'-Carboxyzearalane
Property Insights of 7'-Carboxyzearalane
The XLogP value of 4.9 indicates that 7'-Carboxyzearalane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7'-Carboxyzearalane. Following Lipinski's Rule of Five, 7'-Carboxyzearalane has 3 hydrogen bond donor(s) and 6 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 7'-Carboxyzearalane?
The CAS number of 7'-Carboxyzearalane is 36405-85-3.
What is the molecular formula of 7'-Carboxyzearalane?
The molecular formula of 7'-Carboxyzearalane is C19H26O6.
What is the molecular weight of 7'-Carboxyzearalane?
The molecular weight of 7'-Carboxyzearalane is 350.17 g/mol.
Where can I buy 7'-Carboxyzearalane?
You can request a quote for 7'-Carboxyzearalane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7'-Carboxyzearalane?
Yes, KEHONG BIO provides custom synthesis services for 7'-Carboxyzearalane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.