12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid
TL;DR: 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid (CAS 96801-39-7) is a chemical compound with molecular formula C18H26N4O5 and molecular weight 378.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
Also Known As: nbd-dodecanoic acid, 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid, c12-nbd, NBD-C12 acid, 12- DODECANOICACID
| Molecular Formula | C18H26N4O5 |
|---|---|
| Molecular Weight | 378.19 g/mol |
| LogP | 4.5285 |
| Topological Polar Surface Area | 131.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 378.1903 |
| Heavy Atoms | 27 |
| Complexity | 746.42725 |
Chemical Identifiers
| CAS Number | 96801-39-7 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCC(=O)O |
Product Overview
12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid (CAS 96801-39-7), with molecular formula C18H26N4O5 and molecular weight 378.19 g/mol. IUPAC: 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid.
Chemical Property Profile of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid
Property Insights of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid
The XLogP value of 4.5285 indicates that 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid. Following Lipinski's Rule of Five, 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid has 2 hydrogen bond donor(s) and 7 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 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid?
The CAS number of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid is 96801-39-7.
What is the molecular formula of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid?
The molecular formula of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid is C18H26N4O5.
What is the molecular weight of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid?
The molecular weight of 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid is 378.19 g/mol.
Where can I buy 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid?
You can request a quote for 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.