Denticulatin A
TL;DR: Denticulatin A (CAS 87697-98-1) is a chemical compound with molecular formula C23H40O5 and molecular weight 396.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2R,4R)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one
Also Known As: Denticulatin A, DENTICULATIN B, (E,2R,4R)-2-((2S,3S,4S,5S)-2,4-Dihydroxy-3,5-dimethyl-6-((2S)-3-oxopentan-2-yl)oxan-2-yl)-4,6-dimethyl-non-6-en-3-one, (2R,4R,6E)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one, (2S)-Tetrahydro-3beta,5beta-dimethyl-2alpha-[(1R,3R,5E)-1,3,5-trimethyl-2-oxo-5-octenyl]-6-[(1S)-1-methyl-2-oxobutyl]-2H-pyran-2beta,4beta-diol
| Molecular Formula | C23H40O5 |
|---|---|
| Molecular Weight | 396.29 g/mol |
| LogP | 3.9098 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.28757 |
| Heavy Atoms | 28 |
| Complexity | 583.54175 |
Chemical Identifiers
| CAS Number | 87697-98-1 |
|---|---|
| SMILES | CC/C=C(\C)/C[C@@H](C)C(=O)[C@@H](C)[C@@]1([C@H]([C@H]([C@H](C(O1)[C@H](C)C(=O)CC)C)O)C)O |
Product Overview
Denticulatin A (CAS 87697-98-1), with molecular formula C23H40O5 and molecular weight 396.29 g/mol. IUPAC: (E,2R,4R)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one.
Chemical Property Profile of Denticulatin A
Property Insights of Denticulatin A
The XLogP value of 3.9098 indicates that Denticulatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Denticulatin A. Following Lipinski's Rule of Five, Denticulatin A has 2 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 Denticulatin A?
The CAS number of Denticulatin A is 87697-98-1.
What is the molecular formula of Denticulatin A?
The molecular formula of Denticulatin A is C23H40O5.
What is the molecular weight of Denticulatin A?
The molecular weight of Denticulatin A is 396.29 g/mol.
Where can I buy Denticulatin A?
You can request a quote for Denticulatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denticulatin A?
Yes, KEHONG BIO provides custom synthesis services for Denticulatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.