RefChem:509805
TL;DR: RefChem:509805 (CAS 477731-30-9) is a chemical compound with molecular formula C19H16ClN3O2S2 and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 4-((E)-{2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZONO}METHYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE, [4-[(ethylthiocarbamoylhydrazinylidene)methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate, 4-((E)-(2-((Ethylamino)carbothioyl)hydrazono)methyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate, 647-633-4, RefChem:509805
| Molecular Formula | C19H16ClN3O2S2 |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 4.5918 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.03726 |
| Heavy Atoms | 27 |
| Complexity | 999.86237 |
Chemical Identifiers
| CAS Number | 477731-30-9 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
RefChem:509805 (CAS 477731-30-9), with molecular formula C19H16ClN3O2S2 and molecular weight 417.04 g/mol. IUPAC: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of RefChem:509805
Property Insights of RefChem:509805
The XLogP value of 4.5918 indicates that RefChem:509805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509805. Following Lipinski's Rule of Five, RefChem:509805 has 2 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 RefChem:509805?
The CAS number of RefChem:509805 is 477731-30-9.
What is the molecular formula of RefChem:509805?
The molecular formula of RefChem:509805 is C19H16ClN3O2S2.
What is the molecular weight of RefChem:509805?
The molecular weight of RefChem:509805 is 417.04 g/mol.
Where can I buy RefChem:509805?
You can request a quote for RefChem:509805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509805?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.