![4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met structure](/static/products/2013/20135-35-7.webp)
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met
TL;DR: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met (CAS 20135-35-7) is a chemical compound with molecular formula C32H28Cl2FN5O7S2 and molecular weight 747.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid
Also Known As: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met, 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; 4-methylbenzenesulfonic acid, 4-[[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--4-{[(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C32H28Cl2FN5O7S2 |
|---|---|
| Molecular Weight | 747.08 g/mol |
| LogP | 6.02372 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 747.0791 |
| Heavy Atoms | 49 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 20135-35-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)F)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | KIPFQMLQDDZJSV-UHFFFAOYSA-N |
Product Overview
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met (CAS 20135-35-7), with molecular formula C32H28Cl2FN5O7S2 and molecular weight 747.08 g/mol. IUPAC: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met
Property Insights of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met
The XLogP value of 6.02372 indicates that 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met 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 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met?
The CAS number of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met is 20135-35-7.
What is the molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met?
The molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met is C32H28Cl2FN5O7S2.
What is the molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met?
The molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met is 747.08 g/mol.
Where can I buy 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met?
You can request a quote for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]met and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.