丹酚-A
TL;DR: 丹酚-A (CAS 83729-01-5) is a chemical compound with molecular formula C23H28O8 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹酚-A
methyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Also Known As: Salvinorin A, 12-epi-Salvinorin A, CAS_83729-01-5, J3.194.850I, 2-(3-Furyl)-4,10-dioxo-6a,10b-dimethyl-9-acetoxydodecahydro-4H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
| Molecular Formula | C23H28O8 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 3.0001 |
| Topological Polar Surface Area | 109.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.1784 |
| Heavy Atoms | 31 |
| Complexity | 904.68726 |
Chemical Identifiers
| CAS Number | 83729-01-5 |
|---|---|
| SMILES | CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC |
Product Overview
丹酚-A (CAS 83729-01-5), with molecular formula C23H28O8 and molecular weight 432.18 g/mol. IUPAC: methyl 9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate.
Chemical Property Profile of 丹酚-A
Property Insights of 丹酚-A
The XLogP value of 3.0001 indicates that 丹酚-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹酚-A. Following Lipinski's Rule of Five, 丹酚-A has 0 hydrogen bond donor(s) and 8 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 丹酚-A?
The CAS number of 丹酚-A is 83729-01-5.
What is the molecular formula of 丹酚-A?
The molecular formula of 丹酚-A is C23H28O8.
What is the molecular weight of 丹酚-A?
The molecular weight of 丹酚-A is 432.18 g/mol.
Where can I buy 丹酚-A?
You can request a quote for 丹酚-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹酚-A?
Yes, KEHONG BIO provides custom synthesis services for 丹酚-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.