N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine (CAS 3790-06-5) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine
Also Known As: 1,3-benzodioxole-5-carbaldehyde 1,3-benzothiazol-2-ylhydrazone, N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine, 2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-benzothiazole
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 3790-06-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC3=NC4=CC=CC=C4S3 |
| InChIKey | PSXFZKHQJJCJDJ-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine (CAS 3790-06-5), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine
The XLogP value of 4.1 indicates that N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 6 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 N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine is 3790-06-5.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine is C15H11N3O2S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine is 297.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.