4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
TL;DR: 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate (CAS 477735-10-7) is a chemical compound with molecular formula C18H18BrN3O3S and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate
Also Known As: 4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE, [4-[(ethylthiocarbamoylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromobenzoate, 647-117-9, RefChem:511367
| Molecular Formula | C18H18BrN3O3S |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 3.4948 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.02524 |
| Heavy Atoms | 26 |
| Complexity | 827.0787 |
Chemical Identifiers
| CAS Number | 477735-10-7 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC |
Product Overview
4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate (CAS 477735-10-7), with molecular formula C18H18BrN3O3S and molecular weight 435.03 g/mol. IUPAC: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate.
Chemical Property Profile of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
Property Insights of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
The XLogP value of 3.4948 indicates that 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate. Following Lipinski's Rule of Five, 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate 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 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The CAS number of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is 477735-10-7.
What is the molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The molecular formula of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is C18H18BrN3O3S.
What is the molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
The molecular weight of 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate is 435.03 g/mol.
Where can I buy 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
You can request a quote for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((Ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.