![3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride structure](/static/products/4777/47773-39-7.webp)
3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
TL;DR: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride (CAS 47773-39-7) is a chemical compound with molecular formula C25H21ClFN5O3S and molecular weight 525.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Also Known As: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride, 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl, 3-[(4-{2-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl}phenyl)carbamoyl]benzene-1-sulfonyl fluoride
| Molecular Formula | C25H21ClFN5O3S |
|---|---|
| Molecular Weight | 525.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.10376 |
| Heavy Atoms | 36 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 47773-39-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl |
| InChIKey | OJXIFKVXUALFEB-UHFFFAOYSA-N |
Product Overview
3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride (CAS 47773-39-7), with molecular formula C25H21ClFN5O3S and molecular weight 525.10 g/mol. IUPAC: 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Property Insights of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
The XLogP value of 4.6 indicates that 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 8 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-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride?
The CAS number of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride is 47773-39-7.
What is the molecular formula of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride?
The molecular formula of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride is C25H21ClFN5O3S.
What is the molecular weight of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride?
The molecular weight of 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride is 525.10 g/mol.
Where can I buy 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride?
You can request a quote for 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]carbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.