BAS 00225082
TL;DR: BAS 00225082 (CAS 307329-29-9) is a chemical compound with molecular formula C29H33NO9S3 and molecular weight 635.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00225082, tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, 2,3,4',5'-tetrakis(ethoxycarbonyl)-8-methoxy-5,5-dimethyl-5,6-dihydrospiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1',3']-dithiole), tetraethyl 8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetraethyl 8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C29H33NO9S3 |
|---|---|
| Molecular Weight | 635.13 g/mol |
| LogP | 5.2516 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 635.1318 |
| Heavy Atoms | 42 |
| Complexity | 1397.0195 |
Chemical Identifiers
| CAS Number | 307329-29-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=C(C=C4)OC)NC2(C)C)C(=O)OCC |
Product Overview
BAS 00225082 (CAS 307329-29-9), with molecular formula C29H33NO9S3 and molecular weight 635.13 g/mol. IUPAC: tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00225082
Property Insights of BAS 00225082
The XLogP value of 5.2516 indicates that BAS 00225082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00225082. Following Lipinski's Rule of Five, BAS 00225082 has 1 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 00225082?
The CAS number of BAS 00225082 is 307329-29-9.
What is the molecular formula of BAS 00225082?
The molecular formula of BAS 00225082 is C29H33NO9S3.
What is the molecular weight of BAS 00225082?
The molecular weight of BAS 00225082 is 635.13 g/mol.
Where can I buy BAS 00225082?
You can request a quote for BAS 00225082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00225082?
Yes, KEHONG BIO provides custom synthesis services for BAS 00225082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.