AN-698/42147645
TL;DR: AN-698/42147645 (CAS 694485-70-6) is a chemical compound with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
Also Known As: AN-698/42147645, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzothiazol-2-yl)acetamide, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C18H16N6O2S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.9114 |
| Topological Polar Surface Area | 107.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.0776 |
| Heavy Atoms | 28 |
| Complexity | 1062.8652 |
Chemical Identifiers
| CAS Number | 694485-70-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
AN-698/42147645 (CAS 694485-70-6), with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol. IUPAC: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AN-698/42147645
Property Insights of AN-698/42147645
The XLogP value of 2.9114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/42147645. The TPSA of 107.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42147645. Following Lipinski's Rule of Five, AN-698/42147645 has 2 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 AN-698/42147645?
The CAS number of AN-698/42147645 is 694485-70-6.
What is the molecular formula of AN-698/42147645?
The molecular formula of AN-698/42147645 is C18H16N6O2S2.
What is the molecular weight of AN-698/42147645?
The molecular weight of AN-698/42147645 is 412.08 g/mol.
Where can I buy AN-698/42147645?
You can request a quote for AN-698/42147645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147645?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.