AB00859933-06
TL;DR: AB00859933-06 (CAS 872613-49-5) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Also Known As: AB00859933-06, F1885-0058, N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide, N-((5-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide, N-[[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.4591 |
| Topological Polar Surface Area | 115.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 1024.4487 |
Chemical Identifiers
| CAS Number | 872613-49-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(O3)CNC(=O)C4=CC=CC=C4 |
Product Overview
AB00859933-06 (CAS 872613-49-5), with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol. IUPAC: N-[[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
Chemical Property Profile of AB00859933-06
Property Insights of AB00859933-06
The XLogP value of 2.4591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00859933-06. The TPSA of 115.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00859933-06. Following Lipinski's Rule of Five, AB00859933-06 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 AB00859933-06?
The CAS number of AB00859933-06 is 872613-49-5.
What is the molecular formula of AB00859933-06?
The molecular formula of AB00859933-06 is C19H16N4O5S.
What is the molecular weight of AB00859933-06?
The molecular weight of AB00859933-06 is 412.08 g/mol.
Where can I buy AB00859933-06?
You can request a quote for AB00859933-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00859933-06?
Yes, KEHONG BIO provides custom synthesis services for AB00859933-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.