BAS 00416452
TL;DR: BAS 00416452 (CAS 330440-06-7) is a chemical compound with molecular formula C28H29NO10S3 and molecular weight 635.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00416452, tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propionyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, 2',3',4,5-TETRAMETHYL 9'-METHOXY-5',5'-DIMETHYL-6'-PROPANOYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-2',3',4,5-TETRACARBOXYLATE
| Molecular Formula | C28H29NO10S3 |
|---|---|
| Molecular Weight | 635.10 g/mol |
| LogP | 4.0223 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.09534 |
| Heavy Atoms | 42 |
| Complexity | 1478.7457 |
Chemical Identifiers
| CAS Number | 330440-06-7 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)OC)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 00416452 (CAS 330440-06-7), with molecular formula C28H29NO10S3 and molecular weight 635.10 g/mol. IUPAC: tetramethyl 9'-methoxy-5',5'-dimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00416452
Property Insights of BAS 00416452
The XLogP value of 4.0223 indicates that BAS 00416452 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 00416452. Following Lipinski's Rule of Five, BAS 00416452 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 00416452?
The CAS number of BAS 00416452 is 330440-06-7.
What is the molecular formula of BAS 00416452?
The molecular formula of BAS 00416452 is C28H29NO10S3.
What is the molecular weight of BAS 00416452?
The molecular weight of BAS 00416452 is 635.10 g/mol.
Where can I buy BAS 00416452?
You can request a quote for BAS 00416452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416452?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.