1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)
TL;DR: 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) (CAS 132121-40-5) is a chemical compound with molecular formula C30H33ClN2O10S and molecular weight 648.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[2-(3-chlorobenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; 2-[4-[2-(3-chlorobenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol, RefChem:1056550
| Molecular Formula | C30H33ClN2O10S |
|---|---|
| Molecular Weight | 648.15 g/mol |
| LogP | 3.3528 |
| Topological Polar Surface Area | 185.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 648.1544 |
| Heavy Atoms | 44 |
| Complexity | 1321.6323 |
Chemical Identifiers
| CAS Number | 132121-40-5 |
|---|---|
| SMILES | C1N(CCN(C1)CCOC2=CC3=C(SC4=CC=CC=C24)C=CC(=C3)Cl)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) (CAS 132121-40-5), with molecular formula C30H33ClN2O10S and molecular weight 648.15 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[2-(3-chlorobenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol.
Chemical Property Profile of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)
Property Insights of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)
The XLogP value of 3.3528 indicates that 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.14 Ų indicates high polarity, suggesting 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)?
The CAS number of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) is 132121-40-5.
What is the molecular formula of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)?
The molecular formula of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) is C30H33ClN2O10S.
What is the molecular weight of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)?
The molecular weight of 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) is 648.15 g/mol.
Where can I buy 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)?
You can request a quote for 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(2-((2-chlorodibenzo(b,f)thiepin-10-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.