(1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
TL;DR: (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate (CAS 88335-94-8) is a chemical compound with molecular formula C9H11O4- and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R)-6-methoxycarbonylcyclohex-3-ene-1-carboxylate
Also Known As: 1-Methyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate, (1S,6R)-6-methoxycarbonylcyclohex-3-ene-1-carboxylate, (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate, 4-Cyclohexene-1,2-dicarboxylic acid, monomethyl ester, (1R,2S)-
| Molecular Formula | C9H11O4- |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | -0.5083 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06573 |
| Heavy Atoms | 13 |
| Complexity | 243.99925 |
Chemical Identifiers
| CAS Number | 88335-94-8 |
|---|---|
| SMILES | COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] |
Product Overview
(1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate (CAS 88335-94-8), with molecular formula C9H11O4- and molecular weight 183.07 g/mol. IUPAC: (1S,6R)-6-methoxycarbonylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
Property Insights of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate
The XLogP value of -0.5083 indicates that (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate 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 (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate?
The CAS number of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate is 88335-94-8.
What is the molecular formula of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate?
The molecular formula of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate is C9H11O4-.
What is the molecular weight of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate?
The molecular weight of (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate is 183.07 g/mol.
Where can I buy (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate?
You can request a quote for (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1S,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.