Dolatriol 6-acetate
TL;DR: Dolatriol 6-acetate (CAS 60259-79-2) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate
Also Known As: Dolatriol 6-acetate, DOLABELLA (B712568K038), (3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-, (3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate, 1,4a-Dihydroxy-3a,8a-dimethyl-5-methylidene-1-(propan-2-yl)-1,2,3,3a,4,4a,5,6,7,8,8a,9-dodecahydrobenzo[f]azulen-9-yl acetate
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 60259-79-2 |
|---|---|
| SMILES | CC(C)C1(CCC2(C1=CC(C3(CCCC(=C)C3(C2)O)C)OC(=O)C)C)O |
| InChIKey | MBPCOXMDKYJLDC-UHFFFAOYSA-N |
Product Overview
Dolatriol 6-acetate (CAS 60259-79-2), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: (3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate.
Chemical Property Profile of Dolatriol 6-acetate
Property Insights of Dolatriol 6-acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dolatriol 6-acetate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dolatriol 6-acetate. Following Lipinski's Rule of Five, Dolatriol 6-acetate 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 Dolatriol 6-acetate?
The CAS number of Dolatriol 6-acetate is 60259-79-2.
What is the molecular formula of Dolatriol 6-acetate?
The molecular formula of Dolatriol 6-acetate is C22H34O4.
What is the molecular weight of Dolatriol 6-acetate?
The molecular weight of Dolatriol 6-acetate is 362.25 g/mol.
Where can I buy Dolatriol 6-acetate?
You can request a quote for Dolatriol 6-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dolatriol 6-acetate?
Yes, KEHONG BIO provides custom synthesis services for Dolatriol 6-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.