ChemDiv1_012285
TL;DR: ChemDiv1_012285 (CAS 298684-65-8) is a chemical compound with molecular formula C27H24BrN3O2S and molecular weight 533.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-methylphenyl)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
Also Known As: ChemDiv1_012285, A2265/0095408, 3'-(3-bromo-4-methylphenyl)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione, 3'-(3-BROMO-4-METHYLPHENYL)-1-[(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)METHYL]-1,2-DIHYDROSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDINE]-2,4'-DIONE, 3'-(3-Bromo-4-methylphenyl)-1-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]spiro[3H-indole-3,2'-thiazolidine]-2,4'(1H)-dione
| Molecular Formula | C27H24BrN3O2S |
|---|---|
| Molecular Weight | 533.08 g/mol |
| LogP | 5.05272 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.0773 |
| Heavy Atoms | 34 |
| Complexity | 1328.7323 |
Chemical Identifiers
| CAS Number | 298684-65-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)CSC23C4=CC=CC=C4N(C3=O)CN5CCC6=CC=CC=C6C5)Br |
Product Overview
ChemDiv1_012285 (CAS 298684-65-8), with molecular formula C27H24BrN3O2S and molecular weight 533.08 g/mol. IUPAC: 3-(3-bromo-4-methylphenyl)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
Chemical Property Profile of ChemDiv1_012285
Property Insights of ChemDiv1_012285
The XLogP value of 5.05272 indicates that ChemDiv1_012285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, ChemDiv1_012285 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012285 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012285?
The CAS number of ChemDiv1_012285 is 298684-65-8.
What is the molecular formula of ChemDiv1_012285?
The molecular formula of ChemDiv1_012285 is C27H24BrN3O2S.
What is the molecular weight of ChemDiv1_012285?
The molecular weight of ChemDiv1_012285 is 533.08 g/mol.
Where can I buy ChemDiv1_012285?
You can request a quote for ChemDiv1_012285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012285?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.