BAS 00861755
TL;DR: BAS 00861755 (CAS 352445-37-5) is a chemical compound with molecular formula C23H25NO5S3 and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Also Known As: BAS 00861755, diethyl 9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate, diethyl 9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate, diethyl 9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate, diethyl 9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
| Molecular Formula | C23H25NO5S3 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 5.385 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.08948 |
| Heavy Atoms | 32 |
| Complexity | 1075.3903 |
Chemical Identifiers
| CAS Number | 352445-37-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2(C3=C(S1)C(NC4=C3C=C(C=C4)OC)(C)C)SC=C(S2)C(=O)OCC |
Product Overview
BAS 00861755 (CAS 352445-37-5), with molecular formula C23H25NO5S3 and molecular weight 491.09 g/mol. IUPAC: diethyl 9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate.
Chemical Property Profile of BAS 00861755
Property Insights of BAS 00861755
The XLogP value of 5.385 indicates that BAS 00861755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00861755. Following Lipinski's Rule of Five, BAS 00861755 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00861755?
The CAS number of BAS 00861755 is 352445-37-5.
What is the molecular formula of BAS 00861755?
The molecular formula of BAS 00861755 is C23H25NO5S3.
What is the molecular weight of BAS 00861755?
The molecular weight of BAS 00861755 is 491.09 g/mol.
Where can I buy BAS 00861755?
You can request a quote for BAS 00861755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861755?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.