BAS 00722001
TL;DR: BAS 00722001 (CAS 331973-86-5) is a chemical compound with molecular formula C38H33NO9S3 and molecular weight 743.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 5',5',9'-trimethyl-6'-(2-phenylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00722001, tetramethyl 6-([1,1'-biphenyl]-2-ylcarbonyl)-5,5,9-trimethyl-5,6-dihydrospiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1,3]-dithiole)-2,3,4',5'-tetracarboxylate, tetramethyl 6'-(biphenyl-2-ylcarbonyl)-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 5',5',9'-trimethyl-6'-(2-phenylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 6'-([1,1'-biphenyl]-2-carbonyl)-5',5',9'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C38H33NO9S3 |
|---|---|
| Molecular Weight | 743.13 g/mol |
| LogP | 6.89292 |
| Topological Polar Surface Area | 125.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 743.1318 |
| Heavy Atoms | 51 |
| Complexity | 2088.9604 |
Chemical Identifiers
| CAS Number | 331973-86-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C5=CC=CC=C5C6=CC=CC=C6 |
Product Overview
BAS 00722001 (CAS 331973-86-5), with molecular formula C38H33NO9S3 and molecular weight 743.13 g/mol. IUPAC: tetramethyl 5',5',9'-trimethyl-6'-(2-phenylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00722001
Property Insights of BAS 00722001
The XLogP value of 6.89292 indicates that BAS 00722001 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 00722001. Following Lipinski's Rule of Five, BAS 00722001 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 00722001?
The CAS number of BAS 00722001 is 331973-86-5.
What is the molecular formula of BAS 00722001?
The molecular formula of BAS 00722001 is C38H33NO9S3.
What is the molecular weight of BAS 00722001?
The molecular weight of BAS 00722001 is 743.13 g/mol.
Where can I buy BAS 00722001?
You can request a quote for BAS 00722001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00722001?
Yes, KEHONG BIO provides custom synthesis services for BAS 00722001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.