A0772/0036128
TL;DR: A0772/0036128 (CAS 296265-32-2) is a chemical compound with molecular formula C17H13N3O3S2 and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
Also Known As: A0772/0036128, (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(benzo[d]thiazol-2-ylthio)acetohydrazide, N'-(1,3-benzodioxol-5-ylmethylene)-2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide, N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide, N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(1,3-benzothiazol-2-ylthio)acetohydrazide
| Molecular Formula | C17H13N3O3S2 |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 3.2674 |
| Topological Polar Surface Area | 72.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.03983 |
| Heavy Atoms | 25 |
| Complexity | 922.216 |
Chemical Identifiers
| CAS Number | 296265-32-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
A0772/0036128 (CAS 296265-32-2), with molecular formula C17H13N3O3S2 and molecular weight 371.04 g/mol. IUPAC: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.
Chemical Property Profile of A0772/0036128
Property Insights of A0772/0036128
The XLogP value of 3.2674 indicates that A0772/0036128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A0772/0036128. Following Lipinski's Rule of Five, A0772/0036128 has 1 hydrogen bond donor(s) and 7 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 A0772/0036128?
The CAS number of A0772/0036128 is 296265-32-2.
What is the molecular formula of A0772/0036128?
The molecular formula of A0772/0036128 is C17H13N3O3S2.
What is the molecular weight of A0772/0036128?
The molecular weight of A0772/0036128 is 371.04 g/mol.
Where can I buy A0772/0036128?
You can request a quote for A0772/0036128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0772/0036128?
Yes, KEHONG BIO provides custom synthesis services for A0772/0036128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.