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Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester
TL;DR: Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester (CAS 101414-54-4) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate
Also Known As: ethyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate, Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester, N-(4-nitro-benzenesulfenyl)-benzimidic acid ethyl ester, ETHYL N-[(4-NITROPHENYL)SULFANYL]BENZENECARBOXIMIDATE, Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester (9CI)
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 4.0852 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 627.12683 |
Chemical Identifiers
| CAS Number | 101414-54-4 |
|---|---|
| SMILES | CCOC(=NSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester (CAS 101414-54-4), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: ethyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate.
Chemical Property Profile of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester
Property Insights of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester
The XLogP value of 4.0852 indicates that Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester. Following Lipinski's Rule of Five, Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester?
The CAS number of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester is 101414-54-4.
What is the molecular formula of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester?
The molecular formula of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester is C15H14N2O3S.
What is the molecular weight of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester?
The molecular weight of Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester is 302.07 g/mol.
Where can I buy Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester?
You can request a quote for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, N-[(4-nitrophenyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.