Ivalbin
TL;DR: Ivalbin (CAS 76353-74-7) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Also Known As: IVALBIN, NCI60_000989, 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta(b)furan-2-one, 6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one, 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 76353-74-7 |
|---|---|
| SMILES | CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2 |
| InChIKey | TVKYSIIBPQZNFW-UHFFFAOYSA-N |
Product Overview
Ivalbin (CAS 76353-74-7), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: 6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one.
Chemical Property Profile of Ivalbin
Property Insights of Ivalbin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ivalbin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ivalbin. Following Lipinski's Rule of Five, Ivalbin 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 Ivalbin?
The CAS number of Ivalbin is 76353-74-7.
What is the molecular formula of Ivalbin?
The molecular formula of Ivalbin is C15H22O4.
What is the molecular weight of Ivalbin?
The molecular weight of Ivalbin is 266.15 g/mol.
Where can I buy Ivalbin?
You can request a quote for Ivalbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ivalbin?
Yes, KEHONG BIO provides custom synthesis services for Ivalbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.