3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
TL;DR: 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine (CAS 83463-81-4) is a chemical compound with molecular formula C18H17NOS and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
Also Known As: 3-ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
| Molecular Formula | C18H17NOS |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1031 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 83463-81-4 |
|---|---|
| SMILES | CCOC1=C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C |
| InChIKey | KXLBSRCXONQSKQ-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine (CAS 83463-81-4), with molecular formula C18H17NOS and molecular weight 295.10 g/mol. IUPAC: 3-ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine.
Chemical Property Profile of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
Property Insights of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
The XLogP value of 4.6 indicates that 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine?
The CAS number of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine is 83463-81-4.
What is the molecular formula of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine?
The molecular formula of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine is C18H17NOS.
What is the molecular weight of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine?
The molecular weight of 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine is 295.10 g/mol.
Where can I buy 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine?
You can request a quote for 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.