羟基(苯基)乙酸-金鸡纳-9-醇(1:1)
TL;DR: 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) (CAS 69470-37-7) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基(苯基)乙酸-金鸡纳-9-醇(1:1)
(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;2-hydroxy-2-phenylacetate
Also Known As: CINCHONINE, compd. with MANDELIC ACID, Cinchonine, salt with 1 f. wt. mandelic acid, Cinchonan-9-ol, (9S)-, mono(alpha-hydroxybenzeneacetate) (salt), Hydroxy(phenyl)acetic acid--cinchonan-9-ol (1/1), Cinchonan-9-ol, (9S)-, mono(.alpha.-hydroxybenzeneacetate) (salt)
| Molecular Formula | C27H30N2O4 |
|---|---|
| Molecular Weight | 446.22 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.22055 |
| Heavy Atoms | 33 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 69470-37-7 |
|---|---|
| SMILES | C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C1=CC=C(C=C1)C(C(=O)[O-])O |
| InChIKey | XBTKTVWGGJAGRB-UHFFFAOYSA-N |
Product Overview
羟基(苯基)乙酸-金鸡纳-9-醇(1:1) (CAS 69470-37-7), with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol. IUPAC: (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;2-hydroxy-2-phenylacetate.
Chemical Property Profile of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)
Property Insights of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟基(苯基)乙酸-金鸡纳-9-醇(1:1). The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟基(苯基)乙酸-金鸡纳-9-醇(1:1). Following Lipinski's Rule of Five, 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) has 3 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 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)?
The CAS number of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) is 69470-37-7.
What is the molecular formula of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)?
The molecular formula of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) is C27H30N2O4.
What is the molecular weight of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)?
The molecular weight of 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) is 446.22 g/mol.
Where can I buy 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)?
You can request a quote for 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基(苯基)乙酸-金鸡纳-9-醇(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 羟基(苯基)乙酸-金鸡纳-9-醇(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.