8H-040
TL;DR: 8H-040 (CAS 339097-05-1) is a chemical compound with molecular formula C13H13N5O3S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethoxy]thiophene-2-carboxylate
Also Known As: 8H-040, Methyl 3-(1-(2-amino(1,2,4)triazolo[1,5-a]pyrimidin-7-yl)ethoxy)-2-thiophenecarboxylate, methyl 3-(1-{2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}ethoxy)thiophene-2-carboxylate, methyl 3-[1-(2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethoxy]thiophene-2-carboxylate, methyl 3-[1-(2-amino[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethoxy]-2-thiophenecarboxylate
| Molecular Formula | C13H13N5O3S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 1.6946 |
| Topological Polar Surface Area | 104.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0739 |
| Heavy Atoms | 22 |
| Complexity | 828.0598 |
Chemical Identifiers
| CAS Number | 339097-05-1 |
|---|---|
| SMILES | CC(C1=CC=NC2=NC(=NN12)N)OC3=C(SC=C3)C(=O)OC |
Product Overview
8H-040 (CAS 339097-05-1), with molecular formula C13H13N5O3S and molecular weight 319.07 g/mol. IUPAC: methyl 3-[1-(2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethoxy]thiophene-2-carboxylate.
Chemical Property Profile of 8H-040
Property Insights of 8H-040
The XLogP value of 1.6946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8H-040. The TPSA of 104.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-040. Following Lipinski's Rule of Five, 8H-040 has 1 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 8H-040?
The CAS number of 8H-040 is 339097-05-1.
What is the molecular formula of 8H-040?
The molecular formula of 8H-040 is C13H13N5O3S.
What is the molecular weight of 8H-040?
The molecular weight of 8H-040 is 319.07 g/mol.
Where can I buy 8H-040?
You can request a quote for 8H-040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-040?
Yes, KEHONG BIO provides custom synthesis services for 8H-040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.