6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate
TL;DR: 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate (CAS 122942-80-7) is a chemical compound with molecular formula C27H29NO4S and molecular weight 463.18173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine;oxalic acid
Also Known As: 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate, N,N-Dimethyl-3-(6-phenyl-6,11-dihydrodibenzo(b,e)thiepin-11-yl)propylamine oxalate hydrate, Dibenzo(b,e)thiepin-11-propanamine, 6,11-dihydro-N,N-dimethyl-6-phenyl-, ethanedioate, hydrate (1:1:1), N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine; oxalic acid, Oxalic acid--N,N-dimethyl-3-(6-phenyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)propan-1-amine (1/1)
Technical Specifications
| Molecular Formula | C27H29NO4S |
| Molecular Weight | 463.18173 g/mol |
| XLogP | 5.511 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.18173 Da |
| Heavy Atoms | 33 |
| Complexity | 515.0 |
| SMILES | CN(C)CCCC1C2=CC=CC=C2C(SC3=CC=CC=C13)C4=CC=CC=C4.C(=O)(C(=O)O)O |
| InChIKey | NBNCDCYBOFJKDK-UHFFFAOYSA-N |
Chemical Property Profile of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate
Property Insights of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate
The XLogP value of 5.511 indicates that 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate. Following Lipinski's Rule of Five, 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate has 2 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 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate?
The CAS number of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate is 122942-80-7.
What is the molecular formula of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate?
The molecular formula of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate is C27H29NO4S.
What is the molecular weight of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate?
The molecular weight of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate is 463.18173 g/mol.
Where can I buy 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate?
You can request a quote for 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate?
Yes, CoreyChem provides custom synthesis services for 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.