(4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride
TL;DR: (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride (CAS 508195-41-3) is a chemical compound with molecular formula C30H28ClN3O4 and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[(4-methylphenyl)methoxycarbonyl]phenyl]phenyl] 4-[(diaminomethylideneamino)methyl]benzoate;hydrochloride
Also Known As: (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride, (1,1'-Biphenyl)-4-carboxylic acid, 4'-((4-(((aminoiminomethyl)amino)methyl)benzoyl)oxy)-, (4-methylphenyl)methyl ester, hydrochloride (1:1), (1,1'-Biphenyl)-4-carboxylic acid, 4'-((4-(((aminoiminomethyl)amino)methyl)benzoyl)oxy)-, (4-methylphenyl)methyl ester, monohydrochloride
| Molecular Formula | C30H28ClN3O4 |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 5.43342 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1768 |
| Heavy Atoms | 38 |
| Complexity | 1396.3402 |
Chemical Identifiers
| CAS Number | 508195-41-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)CN=C(N)N.Cl |
Product Overview
(4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride (CAS 508195-41-3), with molecular formula C30H28ClN3O4 and molecular weight 529.18 g/mol. IUPAC: [4-[4-[(4-methylphenyl)methoxycarbonyl]phenyl]phenyl] 4-[(diaminomethylideneamino)methyl]benzoate;hydrochloride.
Chemical Property Profile of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride
Property Insights of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride
The XLogP value of 5.43342 indicates that (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride. Following Lipinski's Rule of Five, (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride?
The CAS number of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride is 508195-41-3.
What is the molecular formula of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride?
The molecular formula of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride is C30H28ClN3O4.
What is the molecular weight of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride?
The molecular weight of (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride is 529.18 g/mol.
Where can I buy (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride?
You can request a quote for (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl)methyl 4'-(4-(((diaminomethylidene)amino)methyl)benzoyloxy)-(1,1'-biphenyl)-4-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.