Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-
TL;DR: Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- (CAS 312591-78-9) is a chemical compound with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile
Also Known As: Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-, 3-(isopropyl((6-nitro-2-oxobenzo[d]oxazol-3(2H)-yl)methyl)amino)propanenitrile, 3-(Isopropyl[(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]amino)propanenitrile #, 3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile, 3-{[(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl](propan-2-yl)amino}propanenitrile
| Molecular Formula | C14H16N4O4 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.11716 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 312591-78-9 |
|---|---|
| SMILES | CC(C)N(CCC#N)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O |
| InChIKey | YYSVXOUFHYNPGW-UHFFFAOYSA-N |
Product Overview
Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- (CAS 312591-78-9), with molecular formula C14H16N4O4 and molecular weight 304.12 g/mol. IUPAC: 3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile.
Chemical Property Profile of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-
Property Insights of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-. Following Lipinski's Rule of Five, Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- has 0 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 Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-?
The CAS number of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- is 312591-78-9.
What is the molecular formula of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-?
The molecular formula of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- is C14H16N4O4.
What is the molecular weight of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-?
The molecular weight of Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- is 304.12 g/mol.
Where can I buy Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-?
You can request a quote for Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.