BAS 00598995
TL;DR: BAS 00598995 (CAS 331818-22-5) is a chemical compound with molecular formula C20H15N3OS2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
Also Known As: BAS 00598995, BIM-0023129.P001, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide, N-((1E)-2-naphthyl-1-azavinyl)-2-benzothiazol-2-ylthioacetamide, (Benzothiazol-2-ylsulfanyl)-acetic acid naphthalen-1-ylmethylene-hydrazide
| Molecular Formula | C20H15N3OS2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 4.6919 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.06564 |
| Heavy Atoms | 26 |
| Complexity | 1066.0728 |
Chemical Identifiers
| CAS Number | 331818-22-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
BAS 00598995 (CAS 331818-22-5), with molecular formula C20H15N3OS2 and molecular weight 377.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.
Chemical Property Profile of BAS 00598995
Property Insights of BAS 00598995
The XLogP value of 4.6919 indicates that BAS 00598995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.35 Ų, BAS 00598995 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00598995 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 BAS 00598995?
The CAS number of BAS 00598995 is 331818-22-5.
What is the molecular formula of BAS 00598995?
The molecular formula of BAS 00598995 is C20H15N3OS2.
What is the molecular weight of BAS 00598995?
The molecular weight of BAS 00598995 is 377.07 g/mol.
Where can I buy BAS 00598995?
You can request a quote for BAS 00598995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598995?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.