RefChem:1056540
TL;DR: RefChem:1056540 (CAS 73129-63-2) is a chemical compound with molecular formula C25H30N2O5S and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: VUFB13.753, 10-(4-(2-Hydroxyethyl)piperazino)-2-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-Piperazineethanol, 4-(10,11-dihydro-2-methyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
| Molecular Formula | C25H30N2O5S |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 3.06512 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.18753 |
| Heavy Atoms | 33 |
| Complexity | 986.0418 |
Chemical Identifiers
| CAS Number | 73129-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056540 (CAS 73129-63-2), with molecular formula C25H30N2O5S and molecular weight 470.19 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056540
Property Insights of RefChem:1056540
The XLogP value of 3.06512 indicates that RefChem:1056540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056540. Following Lipinski's Rule of Five, RefChem:1056540 has 3 hydrogen bond donor(s) and 6 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:1056540?
The CAS number of RefChem:1056540 is 73129-63-2.
What is the molecular formula of RefChem:1056540?
The molecular formula of RefChem:1056540 is C25H30N2O5S.
What is the molecular weight of RefChem:1056540?
The molecular weight of RefChem:1056540 is 470.19 g/mol.
Where can I buy RefChem:1056540?
You can request a quote for RefChem:1056540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056540?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.