6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)
TL;DR: 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) (CAS 125981-97-7) is a chemical compound with molecular formula C38H40N2O8S2 and molecular weight 716.2226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(1-[3-(methylamino)propoxy]-6H-benzo[b][1]benzothiepin-5-one);oxalic acid
Also Known As: 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1), Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(methylamino)propoxy)-, ethanedioate, hydrate (2:1:1), 1-[3-(methylamino)propoxy]-6H-benzo[b][1]benzothiepin-5-one; oxalic acid, 1-[3-(methylamino)propoxy]-6H-benzo[b][1]benzothiepin-5-one,oxalic acid,hydrate, Dibenzo(b,f)thiepin-10(11H)-one,6-(3-(methylamino)propoxy)-,ethanedioate,hydrate (2:1:1)
Technical Specifications
| Molecular Formula | C38H40N2O8S2 |
| Molecular Weight | 716.2226 g/mol |
| XLogP | 6.2854 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 716.2226 Da |
| Heavy Atoms | 50 |
| Complexity | 448.0 |
| SMILES | CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3CC2=O.CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3CC2=O.C(=O)(C(=O)O)O |
| InChIKey | ZYJMGIIYLJRJDT-UHFFFAOYSA-N |
Chemical Property Profile of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)
Property Insights of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)
The XLogP value of 6.2854 indicates that 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)?
The CAS number of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) is 125981-97-7.
What is the molecular formula of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)?
The molecular formula of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) is C38H40N2O8S2.
What is the molecular weight of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)?
The molecular weight of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) is 716.2226 g/mol.
Where can I buy 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)?
You can request a quote for 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)?
Yes, CoreyChem provides custom synthesis services for 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.