BAS 00458912
TL;DR: BAS 00458912 (CAS 329213-84-5) is a chemical compound with molecular formula C32H29NO10S3 and molecular weight 683.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 6'-benzoyl-8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00458912, tetramethyl 6'-benzoyl-8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, 2',3',4,5-TETRAMETHYL 6'-BENZOYL-8'-METHOXY-5',5'-DIMETHYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-2',3',4,5-TETRACARBOXYLATE, methyl 13-methoxy-10,10-dimethyl-11-(phenylcarbonyl)-4,5,8-tris(methoxycarbony l)spiro[1,3-dithiolene-2,1'-5,6-dihydrothiino[2,3-c]quinoline]-7-carboxylate, tetramethyl 6'-benzoyl-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 | C32H29NO10S3 |
|---|---|
| Molecular Weight | 683.10 g/mol |
| LogP | 4.9261 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 683.09534 |
| Heavy Atoms | 46 |
| Complexity | 1748.9731 |
Chemical Identifiers
| CAS Number | 329213-84-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4)C=C(C=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C |
Product Overview
BAS 00458912 (CAS 329213-84-5), with molecular formula C32H29NO10S3 and molecular weight 683.10 g/mol. IUPAC: tetramethyl 6'-benzoyl-8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of BAS 00458912
Property Insights of BAS 00458912
The XLogP value of 4.9261 indicates that BAS 00458912 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 00458912. Following Lipinski's Rule of Five, BAS 00458912 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 00458912?
The CAS number of BAS 00458912 is 329213-84-5.
What is the molecular formula of BAS 00458912?
The molecular formula of BAS 00458912 is C32H29NO10S3.
What is the molecular weight of BAS 00458912?
The molecular weight of BAS 00458912 is 683.10 g/mol.
Where can I buy BAS 00458912?
You can request a quote for BAS 00458912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458912?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.