1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)
TL;DR: 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) (CAS 132121-37-0) is a chemical compound with molecular formula C27H31FN2O5S and molecular weight 514.1938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-[4-(9-fluoro-3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt), 2-(4-(7-Fluoro-2-(2-propyl)dibenzo(b,f)thiepin-11-yl)-1-piperazinyl)ethanol maleate, (E)-but-2-enedioic acid; 2-[4-(9-fluoro-3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Technical Specifications
| Molecular Formula | C27H31FN2O5S |
| Molecular Weight | 514.1938 g/mol |
| XLogP | 4.2335 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1938 Da |
| Heavy Atoms | 36 |
| Complexity | 668.0 |
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C=C2N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O |
| InChIKey | GSRZMUIHRJKQDS-WLHGVMLRSA-N |
Chemical Property Profile of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)
Property Insights of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)
The XLogP value of 4.2335 indicates that 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt). Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)?
The CAS number of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) is 132121-37-0.
What is the molecular formula of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)?
The molecular formula of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) is C27H31FN2O5S.
What is the molecular weight of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)?
The molecular weight of 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) is 514.1938 g/mol.
Where can I buy 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)?
You can request a quote for 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)?
Yes, CoreyChem provides custom synthesis services for 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.