![2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate structure](/static/products/6972/697262-42-3.webp)
2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate
TL;DR: 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate (CAS 697262-42-3) is a chemical compound with molecular formula C12H13ClN4O5 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Also Known As: 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate, 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate, butanoic acid, 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl ester, 2-[(5-chloro-2-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-3-yl)amino]ethyl Butanoate
| Molecular Formula | C12H13ClN4O5 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.5396 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.05743 |
| Heavy Atoms | 22 |
| Complexity | 702.1266 |
Chemical Identifiers
| CAS Number | 697262-42-3 |
|---|---|
| SMILES | CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
Product Overview
2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate (CAS 697262-42-3), with molecular formula C12H13ClN4O5 and molecular weight 328.06 g/mol. IUPAC: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate.
Chemical Property Profile of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate
Property Insights of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate
The XLogP value of 2.5396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate. The TPSA of 120.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate. Following Lipinski's Rule of Five, 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate has 1 hydrogen bond donor(s) and 8 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 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate?
The CAS number of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate is 697262-42-3.
What is the molecular formula of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate?
The molecular formula of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate is C12H13ClN4O5.
What is the molecular weight of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate?
The molecular weight of 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate is 328.06 g/mol.
Where can I buy 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate?
You can request a quote for 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.