![3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid structure](/static/products/7377/737713-13-2.webp)
3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid
TL;DR: 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid (CAS 737713-13-2) is a chemical compound with molecular formula C11H9ClF2N4O3S and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzenesulfonic acid
Also Known As: 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid, 3-amino-5-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-methyl-benzenesulfonic Acid, 3-Amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzene-1-sulfonic acid, 3-amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzenesulfonic acid
| Molecular Formula | C11H9ClF2N4O3S |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 2.28912 |
| Topological Polar Surface Area | 118.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0052 |
| Heavy Atoms | 22 |
| Complexity | 860.90106 |
Chemical Identifiers
| CAS Number | 737713-13-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)O)N |
Product Overview
3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid (CAS 737713-13-2), with molecular formula C11H9ClF2N4O3S and molecular weight 350.01 g/mol. IUPAC: 3-amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzenesulfonic acid.
Chemical Property Profile of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid
Property Insights of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid
The XLogP value of 2.28912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid. The TPSA of 118.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid?
The CAS number of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid is 737713-13-2.
What is the molecular formula of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid?
The molecular formula of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid is C11H9ClF2N4O3S.
What is the molecular weight of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid?
The molecular weight of 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid is 350.01 g/mol.
Where can I buy 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid?
You can request a quote for 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.