9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇
TL;DR: 9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇 (CAS 890090-75-2) is a chemical compound with molecular formula C16H17ClNO3+ and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇
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
| Molecular Formula | C16H17ClNO3+ |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0897 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 890090-75-2 |
|---|---|
| SMILES | C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O |
| InChIKey | TVURRHSHRRELCG-UHFFFAOYSA-O |
Product Overview
9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇 (CAS 890090-75-2), with molecular formula C16H17ClNO3+ and molecular weight 306.09 g/mol. IUPAC: 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol.
Chemical Property Profile of 9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇
Property Insights of 9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-氯-5-(4-羟苯基)-2,3,4,5-四氢-1H-3-苯并氮杂䓬-3-鎓-7,8-二醇. 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
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 306.09 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol?
Yes, KEHONG BIO 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.