BAS 00721880
TL;DR: BAS 00721880 (CAS 296272-45-2) is a chemical compound with molecular formula C32H28INO10S3 and molecular weight 808.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00721880, tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 6'-[(2-iodophenyl)carbonyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, methyl 11-[(2-iodophenyl)carbonyl]-14-methoxy-10,10-dimethyl-4,5,8-tris(methox ycarbonyl)spiro[1,3-dithiolene-2,1'-5,6-dihydrothiino[2,3-c]quinoline]-7-carbo xylate, tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C32H28INO10S3 |
|---|---|
| Molecular Weight | 808.99 g/mol |
| LogP | 5.5307 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 808.992 |
| Heavy Atoms | 47 |
| Complexity | 1819.3066 |
Chemical Identifiers
| CAS Number | 296272-45-2 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4I)C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C |
Product Overview
BAS 00721880 (CAS 296272-45-2), with molecular formula C32H28INO10S3 and molecular weight 808.99 g/mol. IUPAC: tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00721880
Property Insights of BAS 00721880
The XLogP value of 5.5307 indicates that BAS 00721880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00721880. Following Lipinski's Rule of Five, BAS 00721880 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00721880?
The CAS number of BAS 00721880 is 296272-45-2.
What is the molecular formula of BAS 00721880?
The molecular formula of BAS 00721880 is C32H28INO10S3.
What is the molecular weight of BAS 00721880?
The molecular weight of BAS 00721880 is 808.99 g/mol.
Where can I buy BAS 00721880?
You can request a quote for BAS 00721880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721880?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.