AB00853245-06
TL;DR: AB00853245-06 (CAS 381702-91-6) is a chemical compound with molecular formula C16H17N5O6S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: AB00853245-06, AF-407/40919149, 3-(4-amino-3-((2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid, F2712-0142
| Molecular Formula | C16H17N5O6S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | -0.1287 |
| Topological Polar Surface Area | 158.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.08997 |
| Heavy Atoms | 28 |
| Complexity | 963.0264 |
Chemical Identifiers
| CAS Number | 381702-91-6 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(C(=O)N3N)CCC(=O)O |
Product Overview
AB00853245-06 (CAS 381702-91-6), with molecular formula C16H17N5O6S and molecular weight 407.09 g/mol. IUPAC: 3-[4-amino-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of AB00853245-06
Property Insights of AB00853245-06
The XLogP value of -0.1287 indicates that AB00853245-06 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.66 Ų indicates high polarity, suggesting AB00853245-06 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00853245-06 has 3 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 AB00853245-06?
The CAS number of AB00853245-06 is 381702-91-6.
What is the molecular formula of AB00853245-06?
The molecular formula of AB00853245-06 is C16H17N5O6S.
What is the molecular weight of AB00853245-06?
The molecular weight of AB00853245-06 is 407.09 g/mol.
Where can I buy AB00853245-06?
You can request a quote for AB00853245-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00853245-06?
Yes, KEHONG BIO provides custom synthesis services for AB00853245-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.