9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol
TL;DR: 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol (CAS 890090-75-2) is a chemical compound with molecular formula C16H17ClNO3+ and molecular weight 306.0897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol
Also Known As: 8-chloro-2-(4-hydroxyphenyl)-4-azoniabicyclo[5.4.0]undeca-7,9,11-triene-9,10-diol, 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol, 4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
Technical Specifications
| Molecular Formula | C16H17ClNO3+ |
| Molecular Weight | 306.0897 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0897 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O |
| InChIKey | TVURRHSHRRELCG-UHFFFAOYSA-O |
Product Description
Applications: 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol (CAS 890090-75-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is a fine chemical identified by CAS number 890090-75-2 and the molecular formula C16H17ClNO3+ and a molecular weight of 306.09 g/mol. It is also known as Nutlin-3 and 8-chloro-2-(4-hydroxyphenyl)-4-azoniabicyclo[5.4.0]undeca-7,9,11-triene-9,10-diol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol
Property Insights of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol. Following Lipinski's Rule of Five, 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
The CAS number of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is 890090-75-2.
What is the molecular formula of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
The molecular formula of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is C16H17ClNO3+.
What is the molecular weight of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
The molecular weight of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is 306.0897 g/mol.
What are the applications of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
You can request a quote for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
Yes, CoreyChem provides custom synthesis services for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.