Decarestrictine A1
TL;DR: Decarestrictine A1 (CAS 140460-52-2) 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.
7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
Also Known As: Decarestrictine A1, (8E)-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 | 0.1 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 140460-52-2 |
|---|---|
| SMILES | CC1CC2C(O2)C=CC(CC(=O)O1)O |
| InChIKey | JCWPVPJYCLLPQL-UHFFFAOYSA-N |
Product Overview
Decarestrictine A1 (CAS 140460-52-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one.
Chemical Property Profile of Decarestrictine A1
Property Insights of Decarestrictine A1
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decarestrictine A1. With a topological polar surface area (TPSA) of 59.1 Ų, Decarestrictine A1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decarestrictine A1 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 A1?
The CAS number of Decarestrictine A1 is 140460-52-2.
What is the molecular formula of Decarestrictine A1?
The molecular formula of Decarestrictine A1 is C10H14O4.
What is the molecular weight of Decarestrictine A1?
The molecular weight of Decarestrictine A1 is 198.09 g/mol.
Where can I buy Decarestrictine A1?
You can request a quote for Decarestrictine A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decarestrictine A1?
Yes, KEHONG BIO provides custom synthesis services for Decarestrictine A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.