![2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate structure](/static/products/304/304439-72-3.png)
2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate
TL;DR: 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate (CAS 304439-72-3) is a chemical compound with molecular formula C21H32N4O7 and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate
Also Known As: J2.162.212E, 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate, 12-[(4-Nitrobenzofurazane-7-yl)amino]dodecanoic acid 2,3-dihydroxypropyl ester
| Molecular Formula | C21H32N4O7 |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | 3.3403 |
| Topological Polar Surface Area | 160.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 452.2271 |
| Heavy Atoms | 32 |
| Complexity | 842.66254 |
Chemical Identifiers
| CAS Number | 304439-72-3 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCC(=O)OCC(CO)O |
Product Overview
2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate (CAS 304439-72-3), with molecular formula C21H32N4O7 and molecular weight 452.23 g/mol. IUPAC: 2,3-dihydroxypropyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate.
Chemical Property Profile of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate
Property Insights of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate
The XLogP value of 3.3403 indicates that 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.85 Ų indicates high polarity, suggesting 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate has 3 hydrogen bond donor(s) and 10 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 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate?
The CAS number of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate is 304439-72-3.
What is the molecular formula of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate?
The molecular formula of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate is C21H32N4O7.
What is the molecular weight of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate?
The molecular weight of 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate is 452.23 g/mol.
Where can I buy 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate?
You can request a quote for 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl 12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.