Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-
TL;DR: Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- (CAS 65104-99-6) is a chemical compound with molecular formula C49H36Cl2N10O8 and molecular weight 962.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamoyl-3-[2-[4-[[4-[2-[[carbamoyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chlorophenyl]methyl]-2-chlorophenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea
Also Known As: Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-, Imidodicarbonic diamide, 2,2'-[methylenebis(2-chloro-4,1-phenylene)]bis[N,N'-bis(3-isocyanatomethylphenyl)-, RefChem:790780
| Molecular Formula | C49H36Cl2N10O8 |
|---|---|
| Molecular Weight | 962.21 g/mol |
| LogP | 9.4958 |
| Topological Polar Surface Area | 268.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 962.2095 |
| Heavy Atoms | 69 |
| Complexity | 2984.3784 |
Chemical Identifiers
| CAS Number | 65104-99-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(C(=O)N)C(=O)NC2=CC=CC(=C2C3=C(C=C(C=C3)CC4=CC(=C(C=C4)C5=C(C=CC=C5NC(=O)N(C6=CC=CC(=C6)CN=C=O)C(=O)N)CN=C=O)Cl)Cl)CN=C=O)CN=C=O |
Product Overview
Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- (CAS 65104-99-6), with molecular formula C49H36Cl2N10O8 and molecular weight 962.21 g/mol. IUPAC: 1-carbamoyl-3-[2-[4-[[4-[2-[[carbamoyl-[3-(isocyanatomethyl)phenyl]carbamoyl]amino]-6-(isocyanatomethyl)phenyl]-3-chlorophenyl]methyl]-2-chlorophenyl]-3-(isocyanatomethyl)phenyl]-1-[3-(isocyanatomethyl)phenyl]urea.
Chemical Property Profile of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-
Property Insights of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-
The XLogP value of 9.4958 indicates that Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 268.58 Ų indicates high polarity, suggesting Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-?
The CAS number of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- is 65104-99-6.
What is the molecular formula of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-?
The molecular formula of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- is C49H36Cl2N10O8.
What is the molecular weight of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-?
The molecular weight of Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- is 962.21 g/mol.
Where can I buy Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-?
You can request a quote for Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Imidodicarbonic diamide, 2,2'-(methylenebis(2-chloro-4,1-phenylene))bis(N,N'-bis(3-isocyanatomethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.