AB00091179-01
TL;DR: AB00091179-01 (CAS 53846-93-8) is a chemical compound with molecular formula C12H9N3S2 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Also Known As: AB00091179-01, 2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone, (E)-2-(2-(thiophen-2-ylmethylene)hydrazinyl)benzo[d]thiazole, (2Z)-2-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-2,3-dihydro-1,3-benzothiazole, N-[(E)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
| Molecular Formula | C12H9N3S2 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 3.8038 |
| Topological Polar Surface Area | 37.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0238 |
| Heavy Atoms | 17 |
| Complexity | 607.63165 |
Chemical Identifiers
| CAS Number | 53846-93-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=CS3 |
Product Overview
AB00091179-01 (CAS 53846-93-8), with molecular formula C12H9N3S2 and molecular weight 259.02 g/mol. IUPAC: N-[(E)-thiophen-2-ylmethylideneamino]-1,3-benzothiazol-2-amine.
Chemical Property Profile of AB00091179-01
Property Insights of AB00091179-01
The XLogP value of 3.8038 indicates that AB00091179-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.28 Ų, AB00091179-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00091179-01 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 AB00091179-01?
The CAS number of AB00091179-01 is 53846-93-8.
What is the molecular formula of AB00091179-01?
The molecular formula of AB00091179-01 is C12H9N3S2.
What is the molecular weight of AB00091179-01?
The molecular weight of AB00091179-01 is 259.02 g/mol.
Where can I buy AB00091179-01?
You can request a quote for AB00091179-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091179-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091179-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.