dentatin A
TL;DR: dentatin A (CAS 75433-10-2) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Also Known As: dentatin A, Naphtho(1,2-b)furan-2(3H)-one, decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aR,6R,9aS,9bR)-, (3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one, 4,6-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one, (3aR,4S,5aR,6R,9aS,9bR)-4,6-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 75433-10-2 |
|---|---|
| SMILES | C[C@@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)CC[C@H]2O)OC(=O)C3=C)O |
| InChIKey | SDBHSYNLYKOZEJ-XFKURJONSA-N |
Product Overview
dentatin A (CAS 75433-10-2), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one.
Chemical Property Profile of dentatin A
Property Insights of dentatin A
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dentatin A. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for dentatin A. Following Lipinski's Rule of Five, dentatin A 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 dentatin A?
The CAS number of dentatin A is 75433-10-2.
What is the molecular formula of dentatin A?
The molecular formula of dentatin A is C15H20O4.
What is the molecular weight of dentatin A?
The molecular weight of dentatin A is 264.14 g/mol.
Where can I buy dentatin A?
You can request a quote for dentatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dentatin A?
Yes, KEHONG BIO provides custom synthesis services for dentatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.