![(3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate structure](/static/products/440/440113-28-0.png)
(3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate
TL;DR: (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate (CAS 440113-28-0) is a chemical compound with molecular formula C20H18N6O7S and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitroanilino)-2-oxoethyl] 4-[5-(2-ethoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
Also Known As: (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate, [2-(3-nitroanilino)-2-oxoethyl] 4-[5-(2-ethoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate, 2-((3-nitrophenyl)amino)-2-oxoethyl 4-(5-((2-ethoxy-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoate, 2-[(3-nitrophenyl)amino]-2-oxoethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
| Molecular Formula | C20H18N6O7S |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 2.0212 |
| Topological Polar Surface Area | 168.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.09576 |
| Heavy Atoms | 34 |
| Complexity | 1198.1327 |
Chemical Identifiers
| CAS Number | 440113-28-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate (CAS 440113-28-0), with molecular formula C20H18N6O7S and molecular weight 486.10 g/mol. IUPAC: [2-(3-nitroanilino)-2-oxoethyl] 4-[5-(2-ethoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate.
Chemical Property Profile of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate
Property Insights of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate
The XLogP value of 2.0212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate. The TPSA of 168.44 Ų indicates high polarity, suggesting (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate?
The CAS number of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate is 440113-28-0.
What is the molecular formula of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate?
The molecular formula of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate is C20H18N6O7S.
What is the molecular weight of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate?
The molecular weight of (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate is 486.10 g/mol.
Where can I buy (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate?
You can request a quote for (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-nitrophenyl)carbamoylmethyl 4-[5-(ethoxycarbonylmethylsulfanyl)tetrazol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.