![butyl N-[(4-nitrophenyl)methylideneamino]carbamate structure](/static/products/6310/6310-97-0.webp)
butyl N-[(4-nitrophenyl)methylideneamino]carbamate
TL;DR: butyl N-[(4-nitrophenyl)methylideneamino]carbamate (CAS 6310-97-0) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[(4-nitrophenyl)methylideneamino]carbamate
Also Known As: butyl N-[(4-nitrophenyl)methylideneamino]carbamate, Butyl 2-[(4-nitrophenyl)methylidene]hydrazine-1-carboxylate
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 6310-97-0 |
|---|---|
| SMILES | CCCCOC(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WMWCPDFOHKGNJC-UHFFFAOYSA-N |
Product Overview
butyl N-[(4-nitrophenyl)methylideneamino]carbamate (CAS 6310-97-0), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: butyl N-[(4-nitrophenyl)methylideneamino]carbamate.
Chemical Property Profile of butyl N-[(4-nitrophenyl)methylideneamino]carbamate
Property Insights of butyl N-[(4-nitrophenyl)methylideneamino]carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl N-[(4-nitrophenyl)methylideneamino]carbamate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl N-[(4-nitrophenyl)methylideneamino]carbamate. Following Lipinski's Rule of Five, butyl N-[(4-nitrophenyl)methylideneamino]carbamate has 1 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 butyl N-[(4-nitrophenyl)methylideneamino]carbamate?
The CAS number of butyl N-[(4-nitrophenyl)methylideneamino]carbamate is 6310-97-0.
What is the molecular formula of butyl N-[(4-nitrophenyl)methylideneamino]carbamate?
The molecular formula of butyl N-[(4-nitrophenyl)methylideneamino]carbamate is C12H15N3O4.
What is the molecular weight of butyl N-[(4-nitrophenyl)methylideneamino]carbamate?
The molecular weight of butyl N-[(4-nitrophenyl)methylideneamino]carbamate is 265.11 g/mol.
Where can I buy butyl N-[(4-nitrophenyl)methylideneamino]carbamate?
You can request a quote for butyl N-[(4-nitrophenyl)methylideneamino]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-[(4-nitrophenyl)methylideneamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-[(4-nitrophenyl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.