RefChem:391017
TL;DR: RefChem:391017 (CAS 67952-52-7) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-2-(4-hydroxy-2-methyl-5-prop-2-enoyloxycyclohexyl)-6-methyl-3-prop-2-enoyloxycyclohexane-1-carboxylate
Also Known As: Methyl 5',6-bis(acryloyloxy)-4',5-dihydroxy-2',3-dimethyl(1,1'-bicyclohexyl)-2-carboxylate, (1,1'-Bicyclohexyl)-2-carboxylic acid, 4',5-dihydroxy-2',3-dimethyl-5',6-bis((1-oxo-2-propen-1-yl)oxy)-, methyl ester, (1,1'-Bicyclohexyl)-2-carboxylic acid, 4',5-dihydroxy-2',3-dimethyl-5',6-bis((1-oxo-2-propenyl)oxy)-, methyl ester, [1,1'-Bicyclohexyl]-2-carboxylic acid, 4',5-dihydroxy-2',3-dimethyl-5',6-bis[(1-oxo-2-propen-1-yl)oxy]-, methyl ester, [1,1'-Bicyclohexyl]-2-carboxylic acid, 4',5-dihydroxy-2',3-dimethyl-5',6-bis[(1-oxo-2-propenyl)oxy]-, methyl ester
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 67952-52-7 |
|---|---|
| SMILES | CC1CC(C(CC1C2C(C(CC(C2OC(=O)C=C)O)C)C(=O)OC)OC(=O)C=C)O |
| InChIKey | GAMZTBFTHPAOHJ-UHFFFAOYSA-N |
Product Overview
RefChem:391017 (CAS 67952-52-7), with molecular formula C22H32O8 and molecular weight 424.21 g/mol. IUPAC: methyl 4-hydroxy-2-(4-hydroxy-2-methyl-5-prop-2-enoyloxycyclohexyl)-6-methyl-3-prop-2-enoyloxycyclohexane-1-carboxylate.
Chemical Property Profile of RefChem:391017
Property Insights of RefChem:391017
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:391017. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:391017. Following Lipinski's Rule of Five, RefChem:391017 has 2 hydrogen bond donor(s) and 8 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 RefChem:391017?
The CAS number of RefChem:391017 is 67952-52-7.
What is the molecular formula of RefChem:391017?
The molecular formula of RefChem:391017 is C22H32O8.
What is the molecular weight of RefChem:391017?
The molecular weight of RefChem:391017 is 424.21 g/mol.
Where can I buy RefChem:391017?
You can request a quote for RefChem:391017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:391017?
Yes, KEHONG BIO provides custom synthesis services for RefChem:391017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.