![3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid structure](/static/products/1861/18612-39-0.webp)
3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid
TL;DR: 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid (CAS 18612-39-0) is a chemical compound with molecular formula C25H27Cl2N5O2S and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanediamide
Also Known As: 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid, N'-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanediamide
| Molecular Formula | C25H27Cl2N5O2S |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 531.1263 |
| Heavy Atoms | 35 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 18612-39-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC(=O)NN=CC3=C(C=C(C=C3)N(CCCl)CCCl)C |
| InChIKey | BBRVZFWJPOZXTR-UHFFFAOYSA-N |
Product Overview
3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid (CAS 18612-39-0), with molecular formula C25H27Cl2N5O2S and molecular weight 531.13 g/mol. IUPAC: N'-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanediamide.
Chemical Property Profile of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid
Property Insights of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid
The XLogP value of 5.8 indicates that 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid. Following Lipinski's Rule of Five, 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid?
The CAS number of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid is 18612-39-0.
What is the molecular formula of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid?
The molecular formula of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid is C25H27Cl2N5O2S.
What is the molecular weight of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid?
The molecular weight of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid is 531.13 g/mol.
Where can I buy 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid?
You can request a quote for 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.