![6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine structure](/static/products/155/155909-06-1.webp)
6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine
TL;DR: 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine (CAS 155909-06-1) is a chemical compound with molecular formula C24H23NO2S and molecular weight 389.14496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) hexanoate
Also Known As: 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine, (6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) hexanoate, Hexanoic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-yl ester, 8-phenyl-9-thia-2-azatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaen-7-yl hexanoate
Technical Specifications
| Molecular Formula | C24H23NO2S |
| Molecular Weight | 389.14496 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.14496 Da |
| Heavy Atoms | 28 |
| Complexity | 569.0 |
| SMILES | CCCCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4 |
| InChIKey | SIMQICJOBGHLIZ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine
Property Insights of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine
The XLogP value of 6.0 indicates that 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine?
The CAS number of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine is 155909-06-1.
What is the molecular formula of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine?
The molecular formula of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine is C24H23NO2S.
What is the molecular weight of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine?
The molecular weight of 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine is 389.14496 g/mol.
Where can I buy 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine?
You can request a quote for 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine?
Yes, CoreyChem provides custom synthesis services for 6-Phenyl-7-hexanoyloxypyrrolo[2,1-d][1,5]benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.