2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine (CAS 325474-30-4) is a chemical compound with molecular formula C20H15NO3S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
Also Known As: ChemDiv1_022458, F0472-0179, AF-399/12854084, 2-(2H-1,3-BENZODIOXOL-5-YL)-4-(FURAN-2-YL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPINE, 2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
| Molecular Formula | C20H15NO3S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 5.3662 |
| Topological Polar Surface Area | 43.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.07727 |
| Heavy Atoms | 25 |
| Complexity | 949.33496 |
Chemical Identifiers
| CAS Number | 325474-30-4 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=CO3)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine (CAS 325474-30-4), with molecular formula C20H15NO3S and molecular weight 349.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 5.3662 indicates that 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-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 43.96 Ų, 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine is 325474-30-4.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine is C20H15NO3S.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine is 349.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-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 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.