Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
TL;DR: Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate (CAS 36669-19-9) is a chemical compound with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine
Also Known As: 1-(8-Aminodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate, 11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepin-2-amine methanesulfonate(1:1), Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, Methanesulfonic acid--11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepin-2-amine (1/1), methanesulfonic acid; 5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine
| Molecular Formula | C20H25N3O3S2 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.9829 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.13373 |
| Heavy Atoms | 28 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 36669-19-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)N.CS(=O)(=O)O |
| InChIKey | UGEIWEOPRYKPFK-UHFFFAOYSA-N |
Product Overview
Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate (CAS 36669-19-9), with molecular formula C20H25N3O3S2 and molecular weight 419.13 g/mol. IUPAC: methanesulfonic acid;5-(4-methylpiperazin-1-yl)benzo[b][1]benzothiepin-3-amine.
Chemical Property Profile of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
Property Insights of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
The XLogP value of 2.9829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate has 2 hydrogen bond donor(s) and 7 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 Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate?
The CAS number of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate is 36669-19-9.
What is the molecular formula of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate?
The molecular formula of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate is C20H25N3O3S2.
What is the molecular weight of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate?
The molecular weight of Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate is 419.13 g/mol.
Where can I buy Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate?
You can request a quote for Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(8-aminodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.