Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate
TL;DR: Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate (CAS 85117-73-3) is a chemical compound with molecular formula C9H10Cl2O4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate
Also Known As: EINECS 285-622-2, Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate, 2,4-Cyclohexadiene-1-carboxylicacid, 3,5-dichloro-2,4-dihydroxy-6-methyl-, methyl ester, 3,5-Dichloro-2,4-dihydroxy-6-methyl-2,4-cyclohexadiene-1-carboxylic acid methyl ester
| Molecular Formula | C9H10Cl2O4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.4421 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.99562 |
| Heavy Atoms | 15 |
| Complexity | 359.12384 |
Chemical Identifiers
| CAS Number | 85117-73-3 |
|---|---|
| SMILES | CC1C(C(=C(C(=C1Cl)O)Cl)O)C(=O)OC |
Product Overview
Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate (CAS 85117-73-3), with molecular formula C9H10Cl2O4 and molecular weight 252.00 g/mol. IUPAC: methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate.
Chemical Property Profile of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate
Property Insights of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate
The XLogP value of 2.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate has 2 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 Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate?
The CAS number of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate is 85117-73-3.
What is the molecular formula of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate?
The molecular formula of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate is C9H10Cl2O4.
What is the molecular weight of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate?
The molecular weight of Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate is 252.00 g/mol.
Where can I buy Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate?
You can request a quote for Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dichloro-2,4-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.