![4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride structure](/static/products/5138/5138-04-5.webp)
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
TL;DR: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 5138-04-5) is a chemical compound with molecular formula C25H20Cl2FN5O4S and molecular weight 575.06 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
Also Known As: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride, 4-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride
| Molecular Formula | C25H20Cl2FN5O4S |
|---|---|
| Molecular Weight | 575.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 575.0597 |
| Heavy Atoms | 38 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 5138-04-5 |
|---|---|
| SMILES | 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 | LHDHRFLRSJJXFH-UHFFFAOYSA-N |
Product Overview
4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride (CAS 5138-04-5), with molecular formula C25H20Cl2FN5O4S and molecular weight 575.06 g/mol. IUPAC: 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
Property Insights of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
The XLogP value of 4.5 indicates that 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride 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]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 9 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]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The CAS number of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 5138-04-5.
What is the molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular formula of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is C25H20Cl2FN5O4S.
What is the molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
The molecular weight of 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride is 575.06 g/mol.
Where can I buy 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
You can request a quote for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride 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]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.