N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide
TL;DR: N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide (CAS 5460-17-3) is a chemical compound with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(butan-2-ylideneamino)-4-nitrobenzenesulfonamide
Also Known As: N-(butan-2-ylideneamino)-4-nitrobenzenesulfonamide, N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide, 4-nitro-benzenesulfonic acid sec-butylidenehydrazide, N-(BUTAN-2-YLIDENEAMINO)-4-NITRO-BENZENESULFONAMIDE, Benzenesulfonic acid,4-nitro-, 2-(1-methylpropylidene)hydrazide
| Molecular Formula | C10H13N3O4S |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.06268 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 5460-17-3 |
|---|---|
| SMILES | CCC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C |
| InChIKey | VQQKZJUGHIWFRA-UHFFFAOYSA-N |
Product Overview
N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide (CAS 5460-17-3), with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol. IUPAC: N-(butan-2-ylideneamino)-4-nitrobenzenesulfonamide.
Chemical Property Profile of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide
Property Insights of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide. Following Lipinski's Rule of Five, N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide has 1 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 N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide?
The CAS number of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide is 5460-17-3.
What is the molecular formula of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide?
The molecular formula of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide is C10H13N3O4S.
What is the molecular weight of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide?
The molecular weight of N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide is 271.06 g/mol.
Where can I buy N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide?
You can request a quote for N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(Butan-2-ylidene)-4-nitrobenzene-1-sulfonohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.