N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine
TL;DR: N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine (CAS 488122-29-8) is a chemical compound with molecular formula C16H14ClN5O4S and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine
Also Known As: N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine, N1-(2-chloro-4-nitrophenyl)-N3-(6-nitrobenzo[d]thiazol-2-yl)propane-1,3-diamine
| Molecular Formula | C16H14ClN5O4S |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 4.6802 |
| Topological Polar Surface Area | 123.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.0455 |
| Heavy Atoms | 27 |
| Complexity | 1009.63934 |
Chemical Identifiers
| CAS Number | 488122-29-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine (CAS 488122-29-8), with molecular formula C16H14ClN5O4S and molecular weight 407.05 g/mol. IUPAC: N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine.
Chemical Property Profile of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine
Property Insights of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine
The XLogP value of 4.6802 indicates that N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine. Following Lipinski's Rule of Five, N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine has 2 hydrogen bond donor(s) and 8 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 N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The CAS number of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine is 488122-29-8.
What is the molecular formula of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The molecular formula of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine is C16H14ClN5O4S.
What is the molecular weight of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The molecular weight of N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine is 407.05 g/mol.
Where can I buy N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
You can request a quote for N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4-nitrophenyl)-N'-(6-nitro-1,3-benzothiazol-2-yl)propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.