4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 315239-91-9) is a chemical compound with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Also Known As: AF-399/15126011, 4-(2-thienyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine, 1,2,3-trimethoxy-5-(4-(2-thienyl)(2H,3H-benzo[b]1,4-thiazepin-2-yl))benzene, 4-(thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine, 4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
| Molecular Formula | C22H21NO3S2 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 6.1318 |
| Topological Polar Surface Area | 40.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.09628 |
| Heavy Atoms | 28 |
| Complexity | 973.7714 |
Chemical Identifiers
| CAS Number | 315239-91-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4 |
Product Overview
4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 315239-91-9), with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol. IUPAC: 4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 6.1318 indicates that 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.05 Ų, 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is 315239-91-9.
What is the molecular formula of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is C22H21NO3S2.
What is the molecular weight of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is 411.10 g/mol.
Where can I buy 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-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 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.