3-Methoxy-4-(tosyloxy)benzoic acid methyl ester
TL;DR: 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester (CAS 773876-08-7) is a chemical compound with molecular formula C16H16O6S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzoate
Also Known As: 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester, methyl 3-methoxy-4-[(4-methylbenzenesulfonyl)oxy]benzoate, J3.422.165K, methyl 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzoate, AN-652/43163596
| Molecular Formula | C16H16O6S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 2.55792 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.06677 |
| Heavy Atoms | 23 |
| Complexity | 808.9642 |
Chemical Identifiers
| CAS Number | 773876-08-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=O)OC)OC |
Product Overview
3-Methoxy-4-(tosyloxy)benzoic acid methyl ester (CAS 773876-08-7), with molecular formula C16H16O6S and molecular weight 336.07 g/mol. IUPAC: methyl 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzoate.
Chemical Property Profile of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester
Property Insights of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester
The XLogP value of 2.55792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester. Following Lipinski's Rule of Five, 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester has 0 hydrogen bond donor(s) and 6 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 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester?
The CAS number of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester is 773876-08-7.
What is the molecular formula of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester?
The molecular formula of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester is C16H16O6S.
What is the molecular weight of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester?
The molecular weight of 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester is 336.07 g/mol.
Where can I buy 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester?
You can request a quote for 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-(tosyloxy)benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.