![3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one structure](/static/products/313/313503-20-7.png)
3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
TL;DR: 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 313503-20-7) is a chemical compound with molecular formula C14H10ClN3O4 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2-one
Also Known As: 3-[(3-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2-one, 3-(((3-chlorophenyl)amino)methyl)-6-nitrobenzo[d]oxazol-2(3H)-one, 3-[(3-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one, 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C14H10ClN3O4 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.2257 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.03598 |
| Heavy Atoms | 22 |
| Complexity | 915.8371 |
Chemical Identifiers
| CAS Number | 313503-20-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O |
Product Overview
3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one (CAS 313503-20-7), with molecular formula C14H10ClN3O4 and molecular weight 319.04 g/mol. IUPAC: 3-[(3-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
Property Insights of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.2257 indicates that 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one has 1 hydrogen bond donor(s) and 5 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 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is 313503-20-7.
What is the molecular formula of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is C14H10ClN3O4.
What is the molecular weight of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one is 319.04 g/mol.
Where can I buy 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(3-chlorophenyl)amino]methyl}-6-nitro-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.