N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide
TL;DR: N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide (CAS 444930-43-2) is a chemical compound with molecular formula C17H10Cl2N2O3S and molecular weight 391.98 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]-3,4-dichloro-1-benzothiophene-2-carboxamide
Also Known As: N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide, N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-dichloro-1-benzothiophene-2-carboxamide, N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3,4-dichloro-1-benzothiophene-2-carbohydrazide, N-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)(3,4-dichlorobenzo[b]t hiophen-2-yl)carboxamide
| Molecular Formula | C17H10Cl2N2O3S |
|---|---|
| Molecular Weight | 391.98 g/mol |
| LogP | 4.7007 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.9789 |
| Heavy Atoms | 25 |
| Complexity | 1016.5408 |
Chemical Identifiers
| CAS Number | 444930-43-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl |
Product Overview
N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide (CAS 444930-43-2), with molecular formula C17H10Cl2N2O3S and molecular weight 391.98 g/mol. IUPAC: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4-dichloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide
Property Insights of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide
The XLogP value of 4.7007 indicates that N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide 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 N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The CAS number of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide is 444930-43-2.
What is the molecular formula of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The molecular formula of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide is C17H10Cl2N2O3S.
What is the molecular weight of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The molecular weight of N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide is 391.98 g/mol.
Where can I buy N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide?
You can request a quote for N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide 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-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(1,3-benzodioxol-5-ylmethylene)-3,4-dichloro-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.