Piritrexim Isethionate
TL;DR: Piritrexim Isethionate (CAS 79483-69-5) is a chemical compound with molecular formula C19H25N5O6S and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid
Also Known As: PIRITREXIM ISETHIONATE, BW 301U isethionate, Piritrexim, Piritrexim isetionate, BW-301U Isethionate
| Molecular Formula | C19H25N5O6S |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.15256 |
| Heavy Atoms | 31 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 79483-69-5 |
|---|---|
| SMILES | CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N.C(CS(=O)(=O)O)O |
| InChIKey | IOEMETRLOWNXGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piritrexim Isethionate (CAS 79483-69-5), with molecular formula C19H25N5O6S and molecular weight 451.15 g/mol. IUPAC: 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid.
Chemical Property Profile of Piritrexim Isethionate
Property Insights of Piritrexim Isethionate
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piritrexim Isethionate. The TPSA of 192.0 Ų indicates high polarity, suggesting Piritrexim Isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piritrexim Isethionate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piritrexim Isethionate?
The CAS number of Piritrexim Isethionate is 79483-69-5.
What is the molecular formula of Piritrexim Isethionate?
The molecular formula of Piritrexim Isethionate is C19H25N5O6S.
What is the molecular weight of Piritrexim Isethionate?
The molecular weight of Piritrexim Isethionate is 451.15 g/mol.
Where can I buy Piritrexim Isethionate?
You can request a quote for Piritrexim Isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piritrexim Isethionate?
Yes, KEHONG BIO provides custom synthesis services for Piritrexim Isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.