C16H17NOS.C2H2O4
TL;DR: C16H17NOS.C2H2O4 (CAS 82387-09-5) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.0984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate
Also Known As: N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine ethanedioate, 11-(2-Methylaminoethyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate, 11H-DIBENZ(b,f)-1,4-OXATHIEPIN-11-ETHANAMINE, N-METHYL-, ETHANEDIOATE, 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium; 2-hydroxy-2-oxoacetate
Technical Specifications
| Molecular Formula | C18H19NO5S |
| Molecular Weight | 361.0984 g/mol |
| XLogP | 1.03 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0984 Da |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
| SMILES | C[NH2+]CCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O |
| InChIKey | JEILQYZJCYDQNO-UHFFFAOYSA-N |
Chemical Property Profile of C16H17NOS.C2H2O4
Property Insights of C16H17NOS.C2H2O4
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H17NOS.C2H2O4. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H17NOS.C2H2O4. Following Lipinski's Rule of Five, C16H17NOS.C2H2O4 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H17NOS.C2H2O4?
The CAS number of C16H17NOS.C2H2O4 is 82387-09-5.
What is the molecular formula of C16H17NOS.C2H2O4?
The molecular formula of C16H17NOS.C2H2O4 is C18H19NO5S.
What is the molecular weight of C16H17NOS.C2H2O4?
The molecular weight of C16H17NOS.C2H2O4 is 361.0984 g/mol.
Where can I buy C16H17NOS.C2H2O4?
You can request a quote for C16H17NOS.C2H2O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H17NOS.C2H2O4?
Yes, CoreyChem provides custom synthesis services for C16H17NOS.C2H2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.