RefChem:1095730
TL;DR: RefChem:1095730 (CAS 16185-12-9) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 5-23-02-00468 (Beilstein Handbook Reference), 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, 1-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine, 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothie
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 16185-12-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C |
| InChIKey | HCROLNHTLUQIOD-UHFFFAOYSA-N |
Product Overview
RefChem:1095730 (CAS 16185-12-9), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095730
Property Insights of RefChem:1095730
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095730. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095730. Following Lipinski's Rule of Five, RefChem:1095730 has 0 hydrogen bond donor(s) and 5 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 RefChem:1095730?
The CAS number of RefChem:1095730 is 16185-12-9.
What is the molecular formula of RefChem:1095730?
The molecular formula of RefChem:1095730 is C20H24N2O2S2.
What is the molecular weight of RefChem:1095730?
The molecular weight of RefChem:1095730 is 388.13 g/mol.
Where can I buy RefChem:1095730?
You can request a quote for RefChem:1095730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095730?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.