AB00680355-01
TL;DR: AB00680355-01 (CAS 898422-98-5) is a chemical compound with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfanylbenzamide
Also Known As: AB00680355-01, F2647-0017, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(ethylsulfanyl)benzamide, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-(ethylthio)benzamide, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfanylbenzamide
| Molecular Formula | C18H20N2O2S2 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.6625 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09662 |
| Heavy Atoms | 24 |
| Complexity | 796.06647 |
Chemical Identifiers
| CAS Number | 898422-98-5 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C |
Product Overview
AB00680355-01 (CAS 898422-98-5), with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfanylbenzamide.
Chemical Property Profile of AB00680355-01
Property Insights of AB00680355-01
The XLogP value of 4.6625 indicates that AB00680355-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, AB00680355-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00680355-01 has 1 hydrogen bond donor(s) and 5 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 AB00680355-01?
The CAS number of AB00680355-01 is 898422-98-5.
What is the molecular formula of AB00680355-01?
The molecular formula of AB00680355-01 is C18H20N2O2S2.
What is the molecular weight of AB00680355-01?
The molecular weight of AB00680355-01 is 360.10 g/mol.
Where can I buy AB00680355-01?
You can request a quote for AB00680355-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680355-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680355-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.