S 312
TL;DR: S 312 (CAS 120056-57-7) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-312
methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Also Known As: S 312, S-312d, methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate, S-312, Thieno(2,3-b)pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester, (+-)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22N2O4S |
| Molecular Weight | 386.13004 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.13004 Da |
| Heavy Atoms | 27 |
| Complexity | 616.0 |
| SMILES | CC1=C(C(C2=C(N1)SC=C2CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | UTLPUICHKZBRCI-UHFFFAOYSA-N |
Chemical Property Profile of S 312
Property Insights of S 312
The XLogP value of 5.2 indicates that S 312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S 312. Following Lipinski's Rule of Five, S 312 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of S 312?
The CAS number of S 312 is 120056-57-7.
What is the molecular formula of S 312?
The molecular formula of S 312 is C20H22N2O4S.
What is the molecular weight of S 312?
The molecular weight of S 312 is 386.13004 g/mol.
Where can I buy S 312?
You can request a quote for S 312 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S 312?
Yes, CoreyChem provides custom synthesis services for S 312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.