EINECS 273-962-4
TL;DR: EINECS 273-962-4 (CAS 69304-83-2) is a chemical compound with molecular formula C12H13ClN4O5S2 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid
Also Known As: EINECS 273-962-4, 2-amino-4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]benzenesulphonic acid, 2-Amino-4-((5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)benzenesulphonic acid, 2-Amino-4-((5-chloro-6-methyl-2-(methylsulfonyl)pyrimidin-4-yl)amino)benzenesulfonic acid, 2-Amino-4-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]benzenesulfonic acid
| Molecular Formula | C12H13ClN4O5S2 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 1.41442 |
| Topological Polar Surface Area | 152.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0016 |
| Heavy Atoms | 24 |
| Complexity | 1021.984 |
Chemical Identifiers
| CAS Number | 69304-83-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl |
Product Overview
EINECS 273-962-4 (CAS 69304-83-2), with molecular formula C12H13ClN4O5S2 and molecular weight 392.00 g/mol. IUPAC: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid.
Chemical Property Profile of EINECS 273-962-4
Property Insights of EINECS 273-962-4
The XLogP value of 1.41442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 273-962-4. The TPSA of 152.34 Ų indicates high polarity, suggesting EINECS 273-962-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 273-962-4 has 3 hydrogen bond donor(s) and 8 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 EINECS 273-962-4?
The CAS number of EINECS 273-962-4 is 69304-83-2.
What is the molecular formula of EINECS 273-962-4?
The molecular formula of EINECS 273-962-4 is C12H13ClN4O5S2.
What is the molecular weight of EINECS 273-962-4?
The molecular weight of EINECS 273-962-4 is 392.00 g/mol.
Where can I buy EINECS 273-962-4?
You can request a quote for EINECS 273-962-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-962-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-962-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.