RefChem:593512
TL;DR: RefChem:593512 (CAS 477730-39-5) is a chemical compound with molecular formula C28H26BrN3O7S and molecular weight 627.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(2E)-2-[[4-(3-bromobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: SALOR-INT L236276-1EA, ETHYL 2-{[((2E)-2-{4-[(3-BROMOBENZOYL)OXY]-3-METHOXYBENZYLIDENE}HYDRAZINO)(OXO)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 647-563-4, Ethyl 2-((((2E)-2-(4-((3-bromobenzoyl)oxy)-3-methoxybenzylidene)hydrazino)(oxo)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, RefChem:593512
| Molecular Formula | C28H26BrN3O7S |
|---|---|
| Molecular Weight | 627.07 g/mol |
| LogP | 4.8827 |
| Topological Polar Surface Area | 132.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 627.0675 |
| Heavy Atoms | 40 |
| Complexity | 1484.5264 |
Chemical Identifiers
| CAS Number | 477730-39-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)N/N=C/C3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)OC |
Product Overview
RefChem:593512 (CAS 477730-39-5), with molecular formula C28H26BrN3O7S and molecular weight 627.07 g/mol. IUPAC: ethyl 2-[[2-[(2E)-2-[[4-(3-bromobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RefChem:593512
Property Insights of RefChem:593512
The XLogP value of 4.8827 indicates that RefChem:593512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:593512. Following Lipinski's Rule of Five, RefChem:593512 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:593512?
The CAS number of RefChem:593512 is 477730-39-5.
What is the molecular formula of RefChem:593512?
The molecular formula of RefChem:593512 is C28H26BrN3O7S.
What is the molecular weight of RefChem:593512?
The molecular weight of RefChem:593512 is 627.07 g/mol.
Where can I buy RefChem:593512?
You can request a quote for RefChem:593512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593512?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.