BAS 00416456
TL;DR: BAS 00416456 (CAS 303965-85-7) is a chemical compound with molecular formula C30H33NO10S3 and molecular weight 663.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 6'-butanoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00416456, tetramethyl 6'-butanoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 6'-butanoyl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 6'-butyryl-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C30H33NO10S3 |
|---|---|
| Molecular Weight | 663.13 g/mol |
| LogP | 4.8025 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 663.12665 |
| Heavy Atoms | 44 |
| Complexity | 1512.9213 |
Chemical Identifiers
| CAS Number | 303965-85-7 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2)OCC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
BAS 00416456 (CAS 303965-85-7), with molecular formula C30H33NO10S3 and molecular weight 663.13 g/mol. IUPAC: tetramethyl 6'-butanoyl-9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00416456
Property Insights of BAS 00416456
The XLogP value of 4.8025 indicates that BAS 00416456 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 00416456. Following Lipinski's Rule of Five, BAS 00416456 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 00416456?
The CAS number of BAS 00416456 is 303965-85-7.
What is the molecular formula of BAS 00416456?
The molecular formula of BAS 00416456 is C30H33NO10S3.
What is the molecular weight of BAS 00416456?
The molecular weight of BAS 00416456 is 663.13 g/mol.
Where can I buy BAS 00416456?
You can request a quote for BAS 00416456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416456?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.