AB00684398-01
TL;DR: AB00684398-01 (CAS 477215-32-0) is a chemical compound with molecular formula C16H13N5O5S2 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: AB00684398-01, F0529-1130, N-[5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide, N-(5-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzo[d][1,3]dioxole-5-carboxamide, N-[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C16H13N5O5S2 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 2.54632 |
| Topological Polar Surface Area | 128.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0358 |
| Heavy Atoms | 28 |
| Complexity | 1034.1139 |
Chemical Identifiers
| CAS Number | 477215-32-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00684398-01 (CAS 477215-32-0), with molecular formula C16H13N5O5S2 and molecular weight 419.04 g/mol. IUPAC: N-[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of AB00684398-01
Property Insights of AB00684398-01
The XLogP value of 2.54632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684398-01. The TPSA of 128.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684398-01. Following Lipinski's Rule of Five, AB00684398-01 has 2 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 AB00684398-01?
The CAS number of AB00684398-01 is 477215-32-0.
What is the molecular formula of AB00684398-01?
The molecular formula of AB00684398-01 is C16H13N5O5S2.
What is the molecular weight of AB00684398-01?
The molecular weight of AB00684398-01 is 419.04 g/mol.
Where can I buy AB00684398-01?
You can request a quote for AB00684398-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684398-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684398-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.