but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
TL;DR: but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CAS 87134-87-0) is a chemical compound with molecular formula C21H22ClNO5 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: R(+)-7-Chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
| Molecular Formula | C21H22ClNO5 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.3772 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.11865 |
| Heavy Atoms | 28 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 87134-87-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | FGHVSEXHEAUJBT-XFULWGLBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CAS 87134-87-0), with molecular formula C21H22ClNO5 and molecular weight 403.12 g/mol. IUPAC: but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
Chemical Property Profile of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Property Insights of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
The XLogP value of 3.3772 indicates that but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol. Following Lipinski's Rule of Five, but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol 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 but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The CAS number of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is 87134-87-0.
What is the molecular formula of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The molecular formula of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is C21H22ClNO5.
What is the molecular weight of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The molecular weight of but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is 403.12 g/mol.
Where can I buy but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
You can request a quote for but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.