3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
TL;DR: 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313498-83-8) is a chemical compound with molecular formula C14H7Cl2N3O3S and molecular weight 366.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide, 3,4-dichloro-N-(6-nitrobenzo[d]thiazol-2-yl)benzamide, 3,4-dichloro-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C14H7Cl2N3O3S |
|---|---|
| Molecular Weight | 366.96 g/mol |
| LogP | 4.7636 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.95853 |
| Heavy Atoms | 23 |
| Complexity | 942.16223 |
Chemical Identifiers
| CAS Number | 313498-83-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313498-83-8), with molecular formula C14H7Cl2N3O3S and molecular weight 366.96 g/mol. IUPAC: 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Property Insights of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 4.7636 indicates that 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide 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 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The CAS number of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 313498-83-8.
What is the molecular formula of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is C14H7Cl2N3O3S.
What is the molecular weight of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 366.96 g/mol.
Where can I buy 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.