Baileyolin
TL;DR: Baileyolin (CAS 6995-10-4) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate
Also Known As: Baileyolin, NCI60_002160, (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate, 2-Butenoic acid,2-methyl-,(3S,3aS,4S,4aR,- 7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9adecahydro- 9-hydroxy-3,4a,8-trimethyl-2,5- dioxoazuleno[6,5-b]furan-4-yl ester,(2Z)-
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 6995-10-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C |
| InChIKey | NOASRRBRAULRFQ-UHFFFAOYSA-N |
Product Overview
Baileyolin (CAS 6995-10-4), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate.
Chemical Property Profile of Baileyolin
Property Insights of Baileyolin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baileyolin. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Baileyolin. Following Lipinski's Rule of Five, Baileyolin has 1 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 Baileyolin?
The CAS number of Baileyolin is 6995-10-4.
What is the molecular formula of Baileyolin?
The molecular formula of Baileyolin is C20H26O6.
What is the molecular weight of Baileyolin?
The molecular weight of Baileyolin is 362.17 g/mol.
Where can I buy Baileyolin?
You can request a quote for Baileyolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baileyolin?
Yes, KEHONG BIO provides custom synthesis services for Baileyolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.