Salor-int l445010-1ea
TL;DR: Salor-int l445010-1ea (CAS 539812-15-2) is a chemical compound with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: Salor-int l445010-1ea, [(4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-[[4-(benzo[1,3]dioxol-5-ylmethylideneamino)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
| Molecular Formula | C13H12N4O4S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 1.37412 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.05792 |
| Heavy Atoms | 22 |
| Complexity | 743.6365 |
Chemical Identifiers
| CAS Number | 539812-15-2 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=CC3=C(C=C2)OCO3)SCC(=O)O |
Product Overview
Salor-int l445010-1ea (CAS 539812-15-2), with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol. IUPAC: 2-[[4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of Salor-int l445010-1ea
Property Insights of Salor-int l445010-1ea
The XLogP value of 1.37412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salor-int l445010-1ea. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Salor-int l445010-1ea. Following Lipinski's Rule of Five, Salor-int l445010-1ea has 1 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 Salor-int l445010-1ea?
The CAS number of Salor-int l445010-1ea is 539812-15-2.
What is the molecular formula of Salor-int l445010-1ea?
The molecular formula of Salor-int l445010-1ea is C13H12N4O4S.
What is the molecular weight of Salor-int l445010-1ea?
The molecular weight of Salor-int l445010-1ea is 320.06 g/mol.
Where can I buy Salor-int l445010-1ea?
You can request a quote for Salor-int l445010-1ea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salor-int l445010-1ea?
Yes, KEHONG BIO provides custom synthesis services for Salor-int l445010-1ea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.