Decarestrictine A
TL;DR: Decarestrictine A (CAS 127393-90-2) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
Also Known As: Decarestrictine A, Decarestrictine-A1; SM-140-A1, (8E)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one, 4,11-Dioxabicyclo(8.1.0)undec-8-en-5-one, 7-hydroxy-3-methyl-, 7-Hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.3964 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 260.84763 |
Chemical Identifiers
| CAS Number | 127393-90-2 |
|---|---|
| SMILES | CC1CC2C(O2)/C=C/C(CC(=O)O1)O |
Product Overview
Decarestrictine A (CAS 127393-90-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: (8E)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one.
Chemical Property Profile of Decarestrictine A
Property Insights of Decarestrictine A
The XLogP value of 0.3964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decarestrictine A. With a topological polar surface area (TPSA) of 59.06 Ų, Decarestrictine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decarestrictine A has 1 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 Decarestrictine A?
The CAS number of Decarestrictine A is 127393-90-2.
What is the molecular formula of Decarestrictine A?
The molecular formula of Decarestrictine A is C10H14O4.
What is the molecular weight of Decarestrictine A?
The molecular weight of Decarestrictine A is 198.09 g/mol.
Where can I buy Decarestrictine A?
You can request a quote for Decarestrictine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decarestrictine A?
Yes, KEHONG BIO provides custom synthesis services for Decarestrictine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.