![Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate structure](/static/products/3831/383147-52-2.webp)
Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate
TL;DR: Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate (CAS 383147-52-2) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(methoxyiminomethyl)-2-nitrophenyl]sulfanylbenzoate
Also Known As: methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate, methyl 2-[4-(methoxyiminomethyl)-2-nitrophenyl]sulfanylbenzoate
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 3.5129 |
| Topological Polar Surface Area | 91.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 791.7873 |
Chemical Identifiers
| CAS Number | 383147-52-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C=NOC)[N+](=O)[O-] |
Product Overview
Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate (CAS 383147-52-2), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: methyl 2-[4-(methoxyiminomethyl)-2-nitrophenyl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate
Property Insights of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate
The XLogP value of 3.5129 indicates that Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 7 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 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate?
The CAS number of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate is 383147-52-2.
What is the molecular formula of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate?
The molecular formula of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate is C16H14N2O5S.
What is the molecular weight of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate?
The molecular weight of Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate is 346.06 g/mol.
Where can I buy Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate?
You can request a quote for Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({4-[(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.