1,2-Cyclohexanediol diacetate, trans-
TL;DR: 1,2-Cyclohexanediol diacetate, trans- (CAS 2396-76-1) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxycyclohexyl) acetate
Also Known As: 1, diacetate, 1,2-diacetoxycyclohexane, (2-acetyloxycyclohexyl) acetate, 1,2-Cyclohexanediol diacetate, trans-, 1,2-Cyclohexylenediacetate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 2396-76-1 |
|---|---|
| SMILES | CC(=O)OC1CCCCC1OC(=O)C |
| InChIKey | NSTPWRQTPXJRSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cyclohexanediol diacetate, trans- (CAS 2396-76-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: (2-acetyloxycyclohexyl) acetate.
Chemical Property Profile of 1,2-Cyclohexanediol diacetate, trans-
Property Insights of 1,2-Cyclohexanediol diacetate, trans-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cyclohexanediol diacetate, trans-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Cyclohexanediol diacetate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclohexanediol diacetate, trans- has 0 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 1,2-Cyclohexanediol diacetate, trans-?
The CAS number of 1,2-Cyclohexanediol diacetate, trans- is 2396-76-1.
What is the molecular formula of 1,2-Cyclohexanediol diacetate, trans-?
The molecular formula of 1,2-Cyclohexanediol diacetate, trans- is C10H16O4.
What is the molecular weight of 1,2-Cyclohexanediol diacetate, trans-?
The molecular weight of 1,2-Cyclohexanediol diacetate, trans- is 200.10 g/mol.
Where can I buy 1,2-Cyclohexanediol diacetate, trans-?
You can request a quote for 1,2-Cyclohexanediol diacetate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexanediol diacetate, trans-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanediol diacetate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.