ChemDiv1_025326
TL;DR: ChemDiv1_025326 (CAS 303176-99-0) is a chemical compound with molecular formula C33H31NO9S3 and molecular weight 681.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: ChemDiv1_025326, BAS 00315483, tetramethyl 5',5',7'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro(1,3-dithiole-2,1'-[1'H]-thiopyrano[2,3-c]quinoline)-2',3',4,5-tetracarboxylate, A1263/0057749, tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C33H31NO9S3 |
|---|---|
| Molecular Weight | 681.12 g/mol |
| LogP | 5.15482 |
| Topological Polar Surface Area | 125.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 681.1161 |
| Heavy Atoms | 46 |
| Complexity | 1747.1981 |
Chemical Identifiers
| CAS Number | 303176-99-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)CC4=CC=CC=C4)(C)C)SC(=C(C35SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv1_025326 (CAS 303176-99-0), with molecular formula C33H31NO9S3 and molecular weight 681.12 g/mol. IUPAC: tetramethyl 5',5',7'-trimethyl-6'-(2-phenylacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of ChemDiv1_025326
Property Insights of ChemDiv1_025326
The XLogP value of 5.15482 indicates that ChemDiv1_025326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025326. Following Lipinski's Rule of Five, ChemDiv1_025326 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025326?
The CAS number of ChemDiv1_025326 is 303176-99-0.
What is the molecular formula of ChemDiv1_025326?
The molecular formula of ChemDiv1_025326 is C33H31NO9S3.
What is the molecular weight of ChemDiv1_025326?
The molecular weight of ChemDiv1_025326 is 681.12 g/mol.
Where can I buy ChemDiv1_025326?
You can request a quote for ChemDiv1_025326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025326?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.