3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide
TL;DR: 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide (CAS 331666-06-9) is a chemical compound with molecular formula C17H19ClN2OS and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(cyclooctylideneamino)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide, 3-chloro-N-(cyclooctylideneamino)-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(cyclooctylideneazamethyl)carboxamide
| Molecular Formula | C17H19ClN2OS |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 5.3848 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.09067 |
| Heavy Atoms | 22 |
| Complexity | 697.7469 |
Chemical Identifiers
| CAS Number | 331666-06-9 |
|---|---|
| SMILES | C1CCCC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CCC1 |
Product Overview
3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide (CAS 331666-06-9), with molecular formula C17H19ClN2OS and molecular weight 334.09 g/mol. IUPAC: 3-chloro-N-(cyclooctylideneamino)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide
Property Insights of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide
The XLogP value of 5.3848 indicates that 3-chloro-N'-cyclooctylidene-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 41.46 Ų, 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide?
The CAS number of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide is 331666-06-9.
What is the molecular formula of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide?
The molecular formula of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide is C17H19ClN2OS.
What is the molecular weight of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide?
The molecular weight of 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide is 334.09 g/mol.
Where can I buy 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide?
You can request a quote for 3-chloro-N'-cyclooctylidene-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 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N'-cyclooctylidene-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.