5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate
TL;DR: 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate (CAS 144425-86-5) is a chemical compound with molecular formula C12H13Cl3N4O3S and molecular weight 397.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethanesulfonic acid;5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
Also Known As: BW 1003C87, BW-1003C87, 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate, ethanesulfonic acid;5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine, 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethanesulfonate
| Molecular Formula | C12H13Cl3N4O3S |
|---|---|
| Molecular Weight | 397.98 g/mol |
| LogP | 3.1623 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.9774 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 144425-86-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.C1=C(C=C(C(=C1C2=CN=C(N=C2N)N)Cl)Cl)Cl |
| InChIKey | NVKJAOGJEDODFZ-UHFFFAOYSA-N |
Product Overview
5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate (CAS 144425-86-5), with molecular formula C12H13Cl3N4O3S and molecular weight 397.98 g/mol. IUPAC: ethanesulfonic acid;5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate
Property Insights of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate
The XLogP value of 3.1623 indicates that 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate has 3 hydrogen bond donor(s) and 7 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 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate?
The CAS number of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate is 144425-86-5.
What is the molecular formula of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate?
The molecular formula of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate is C12H13Cl3N4O3S.
What is the molecular weight of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate?
The molecular weight of 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate is 397.98 g/mol.
Where can I buy 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate?
You can request a quote for 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.