AB00417038-04
TL;DR: AB00417038-04 (CAS 863500-67-8) is a chemical compound with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Also Known As: AB00417038-04, 2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide, 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide, F0682-1185, 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
| Molecular Formula | C18H20N6O3S |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 1.6064 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.13177 |
| Heavy Atoms | 28 |
| Complexity | 955.61426 |
Chemical Identifiers
| CAS Number | 863500-67-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4CCCO4)N=N2 |
Product Overview
AB00417038-04 (CAS 863500-67-8), with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00417038-04
Property Insights of AB00417038-04
The XLogP value of 1.6064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00417038-04. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00417038-04. Following Lipinski's Rule of Five, AB00417038-04 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 AB00417038-04?
The CAS number of AB00417038-04 is 863500-67-8.
What is the molecular formula of AB00417038-04?
The molecular formula of AB00417038-04 is C18H20N6O3S.
What is the molecular weight of AB00417038-04?
The molecular weight of AB00417038-04 is 400.13 g/mol.
Where can I buy AB00417038-04?
You can request a quote for AB00417038-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00417038-04?
Yes, KEHONG BIO provides custom synthesis services for AB00417038-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.