AB00672171-01
TL;DR: AB00672171-01 (CAS 863453-10-5) is a chemical compound with molecular formula C17H17FN6O2S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone
Also Known As: AB00672171-01, F0682-0228, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-morpholinoethanone, 2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one, 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone
| Molecular Formula | C17H17FN6O2S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 1.3596 |
| Topological Polar Surface Area | 86.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1118 |
| Heavy Atoms | 27 |
| Complexity | 942.2515 |
Chemical Identifiers
| CAS Number | 863453-10-5 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
AB00672171-01 (CAS 863453-10-5), with molecular formula C17H17FN6O2S and molecular weight 388.11 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-morpholin-4-ylethanone.
Chemical Property Profile of AB00672171-01
Property Insights of AB00672171-01
The XLogP value of 1.3596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672171-01. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672171-01. Following Lipinski's Rule of Five, AB00672171-01 has 0 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 AB00672171-01?
The CAS number of AB00672171-01 is 863453-10-5.
What is the molecular formula of AB00672171-01?
The molecular formula of AB00672171-01 is C17H17FN6O2S.
What is the molecular weight of AB00672171-01?
The molecular weight of AB00672171-01 is 388.11 g/mol.
Where can I buy AB00672171-01?
You can request a quote for AB00672171-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672171-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672171-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.