Carolenalol
TL;DR: Carolenalol (CAS 79236-42-3) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
Also Known As: Carolenalol, Azuleno(6,5-b)furan-2(3H)-one, 3a,4,4a,5,6,7,9,9a-octahydro-5,6,9-trihydroxy-3,5,8-trimethyl-, (3S,3aR,4aR,5S,6R,9R,9aS)-, (1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one, (1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno(6,5-b)furan-2-one, (1s,3as,4r,7r,8s,8ar,9ar)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[5,6-d]furan-2-one
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 79236-42-3 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[C@@H]3C(=C([C@H]([C@H]2OC1=O)O)C)C[C@H]([C@@]3(C)O)O |
| InChIKey | DSOLHSWKROBKSB-HPUSRABXSA-N |
Product Overview
Carolenalol (CAS 79236-42-3), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (1S,3aS,4R,7R,8S,8aR,9aR)-4,7,8-trihydroxy-1,5,8-trimethyl-1,3a,4,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one.
Chemical Property Profile of Carolenalol
Property Insights of Carolenalol
The XLogP value of -0.6 indicates that Carolenalol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carolenalol. Following Lipinski's Rule of Five, Carolenalol has 3 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 Carolenalol?
The CAS number of Carolenalol is 79236-42-3.
What is the molecular formula of Carolenalol?
The molecular formula of Carolenalol is C15H22O5.
What is the molecular weight of Carolenalol?
The molecular weight of Carolenalol is 282.15 g/mol.
Where can I buy Carolenalol?
You can request a quote for Carolenalol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carolenalol?
Yes, KEHONG BIO provides custom synthesis services for Carolenalol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.