BAS 00268286
TL;DR: BAS 00268286 (CAS 327170-15-0) is a chemical compound with molecular formula C33H31NO9S3 and molecular weight 681.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 5',5',9'-trimethyl-6'-(4-methylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00268286, tetramethyl 5',5',9'-trimethyl-6'-(4-methylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, methyl 10,10,14-trimethyl-11-[(4-methylphenyl)carbonyl]-5,7,8-tris(methoxycarb onyl)spiro[1,3-dithiolene-2,1'-5,6-dihydrothiino[2,3-c]quinoline]-4-carboxylat e, tetramethyl 5',5',9'-trimethyl-6'-(4-methylbenzoyl)-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, TETRAMETHYL 5',5',9'-TRIMETHYL-6'-(4-METHYLBENZOYL)-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-2',3',4,5-TETRACARBOXYLATE
| Molecular Formula | C33H31NO9S3 |
|---|---|
| Molecular Weight | 681.12 g/mol |
| LogP | 5.53434 |
| Topological Polar Surface Area | 125.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 681.1161 |
| Heavy Atoms | 46 |
| Complexity | 1776.3256 |
Chemical Identifiers
| CAS Number | 327170-15-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
BAS 00268286 (CAS 327170-15-0), with molecular formula C33H31NO9S3 and molecular weight 681.12 g/mol. IUPAC: tetramethyl 5',5',9'-trimethyl-6'-(4-methylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00268286
Property Insights of BAS 00268286
The XLogP value of 5.53434 indicates that BAS 00268286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00268286. Following Lipinski's Rule of Five, BAS 00268286 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00268286?
The CAS number of BAS 00268286 is 327170-15-0.
What is the molecular formula of BAS 00268286?
The molecular formula of BAS 00268286 is C33H31NO9S3.
What is the molecular weight of BAS 00268286?
The molecular weight of BAS 00268286 is 681.12 g/mol.
Where can I buy BAS 00268286?
You can request a quote for BAS 00268286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268286?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.