1-Isobutyrylcyclohexene
TL;DR: 1-Isobutyrylcyclohexene (CAS 56923-25-2) is a chemical compound with molecular formula C18H18O10S and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)sulfonyl-4-methoxybenzoate
Also Known As: 1-Isobutyrylcyclohexene, Dimethyl 3,3'-sulfonylbis(6-hydroxy-4-methoxybenzoate), METHYL 2-HYDROXY-5-(4-HYDROXY-2-METHOXY-5-METHOXYCARBONYL-PHENYL)SULFONYL-4-METHOXY-BENZOATE, methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonylphe, methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)sulfonyl-4-methoxybenzoate
| Molecular Formula | C18H18O10S |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.06207 |
| Heavy Atoms | 29 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 56923-25-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C(=O)OC)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)O)OC |
| InChIKey | PTHZOEFLUWBKIJ-UHFFFAOYSA-N |
Product Overview
1-Isobutyrylcyclohexene (CAS 56923-25-2), with molecular formula C18H18O10S and molecular weight 426.06 g/mol. IUPAC: methyl 2-hydroxy-5-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)sulfonyl-4-methoxybenzoate.
Chemical Property Profile of 1-Isobutyrylcyclohexene
Property Insights of 1-Isobutyrylcyclohexene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyrylcyclohexene. The TPSA of 154.0 Ų indicates high polarity, suggesting 1-Isobutyrylcyclohexene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Isobutyrylcyclohexene has 2 hydrogen bond donor(s) and 10 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-Isobutyrylcyclohexene?
The CAS number of 1-Isobutyrylcyclohexene is 56923-25-2.
What is the molecular formula of 1-Isobutyrylcyclohexene?
The molecular formula of 1-Isobutyrylcyclohexene is C18H18O10S.
What is the molecular weight of 1-Isobutyrylcyclohexene?
The molecular weight of 1-Isobutyrylcyclohexene is 426.06 g/mol.
Where can I buy 1-Isobutyrylcyclohexene?
You can request a quote for 1-Isobutyrylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isobutyrylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyrylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.