N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid
TL;DR: N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid (CAS 74604-77-6) is a chemical compound with molecular formula C15H17N3O6S and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
Also Known As: Prh 836 EA, Prh-836-EA, N-(4-(1,4-Benzodioxan-6-yl)-2-thiazolyl)oxamic acid, N-(4-(1,4-Benzodioxan-6-yl)-2-thiazolyl)oxamic acid ethanolamine salt, {[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino}(oxo)acetic acid--2-aminoethan-1-ol (1/1)
| Molecular Formula | C15H17N3O6S |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 0.5418 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0838 |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 74604-77-6 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)C(=O)O.C(CO)N |
| InChIKey | MMFMZFZVVZNAOT-UHFFFAOYSA-N |
Product Overview
N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid (CAS 74604-77-6), with molecular formula C15H17N3O6S and molecular weight 367.08 g/mol. IUPAC: 2-aminoethanol;2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
Chemical Property Profile of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid
Property Insights of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid
The XLogP value of 0.5418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid. The TPSA of 172.0 Ų indicates high polarity, suggesting N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid has 4 hydrogen bond donor(s) and 9 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 N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid?
The CAS number of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid is 74604-77-6.
What is the molecular formula of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid?
The molecular formula of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid is C15H17N3O6S.
What is the molecular weight of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid?
The molecular weight of N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid is 367.08 g/mol.
Where can I buy N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid?
You can request a quote for N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(1,4-benzodioxan-6-yl)-2-thiazolyl)oxamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.