AB00586880-04
TL;DR: AB00586880-04 (CAS 862808-73-9) is a chemical compound with molecular formula C19H18N6O6S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
Also Known As: AB00586880-04, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]benzamide, F0608-0171, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
| Molecular Formula | C19H18N6O6S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 1.48516 |
| Topological Polar Surface Area | 171.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.10086 |
| Heavy Atoms | 32 |
| Complexity | 1158.1257 |
Chemical Identifiers
| CAS Number | 862808-73-9 |
|---|---|
| SMILES | C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
AB00586880-04 (CAS 862808-73-9), with molecular formula C19H18N6O6S and molecular weight 458.10 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
Chemical Property Profile of AB00586880-04
Property Insights of AB00586880-04
The XLogP value of 1.48516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00586880-04. The TPSA of 171.44 Ų indicates high polarity, suggesting AB00586880-04 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00586880-04 has 1 hydrogen bond donor(s) and 10 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 AB00586880-04?
The CAS number of AB00586880-04 is 862808-73-9.
What is the molecular formula of AB00586880-04?
The molecular formula of AB00586880-04 is C19H18N6O6S.
What is the molecular weight of AB00586880-04?
The molecular weight of AB00586880-04 is 458.10 g/mol.
Where can I buy AB00586880-04?
You can request a quote for AB00586880-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00586880-04?
Yes, KEHONG BIO provides custom synthesis services for AB00586880-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.