Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)
TL;DR: Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) (CAS 21699-86-5) is a chemical compound with molecular formula C18H23NO5S and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine
Also Known As: 4-(2,3,4,5-Tetrahydro-1-benzothiepin-5-yl)morpholine maleate, 5-Morpholino-2,3,4,5-tetrahydro-1-benzothiepine hydrogen maleate, Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1), (Z)-but-2-enedioic acid; 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine, RefChem:1089962
| Molecular Formula | C18H23NO5S |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 2.6576 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1297 |
| Heavy Atoms | 25 |
| Complexity | 597.2389 |
Chemical Identifiers
| CAS Number | 21699-86-5 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2SC1)N3CCOCC3.C(=C\C(=O)O)\C(=O)O |
Product Overview
Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) (CAS 21699-86-5), with molecular formula C18H23NO5S and molecular weight 365.13 g/mol. IUPAC: (Z)-but-2-enedioic acid;4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine.
Chemical Property Profile of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)
Property Insights of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)
The XLogP value of 2.6576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1). The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1). Following Lipinski's Rule of Five, Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) has 2 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 Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)?
The CAS number of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) is 21699-86-5.
What is the molecular formula of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)?
The molecular formula of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) is C18H23NO5S.
What is the molecular weight of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)?
The molecular weight of Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) is 365.13 g/mol.
Where can I buy Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)?
You can request a quote for Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Morpholine, 4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.