3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one
TL;DR: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one (CAS 848995-47-1) is a chemical compound with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one
Also Known As: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one, 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-2,3-dihydro-1H-1,5-benzodiazepin-4-ol, 3-(benzo[d]thiazol-2-ylthio)-2-methylene-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-ol, 3H-Benzo[b][1,4]diazepin-2-ol, 3-(benzothiazol-2-ylsulfanyl)-4-methylene-4,5-dihydro-
| Molecular Formula | C17H13N3OS2 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 4.3349 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.05002 |
| Heavy Atoms | 23 |
| Complexity | 848.8523 |
Chemical Identifiers
| CAS Number | 848995-47-1 |
|---|---|
| SMILES | C=C1C(C(=O)NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one (CAS 848995-47-1), with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one
Property Insights of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one
The XLogP value of 4.3349 indicates that 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one has 2 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 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one?
The CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one is 848995-47-1.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one?
The molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one is C17H13N3OS2.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one?
The molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one is 339.05 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one?
You can request a quote for 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.