4-羟基-3-碘-5-硝基苯乙酸
TL;DR: 4-羟基-3-碘-5-硝基苯乙酸 (CAS 2646-51-7) is a chemical compound with molecular formula C8H6INO5 and molecular weight 322.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3-碘-5-硝基苯乙酸
2-(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid
Also Known As: Nip-hapten, NIP Hapten, NIP Acetyl Hapten, Acetyl Hapten, NIP, Hapten, NIP Acetyl
| Molecular Formula | C8H6INO5 |
|---|---|
| Molecular Weight | 322.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.92908 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 2646-51-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)I)CC(=O)O |
| InChIKey | KPWFDZXSCIFGNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3-碘-5-硝基苯乙酸 (CAS 2646-51-7), with molecular formula C8H6INO5 and molecular weight 322.93 g/mol. IUPAC: 2-(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid.
Chemical Property Profile of 4-羟基-3-碘-5-硝基苯乙酸
Property Insights of 4-羟基-3-碘-5-硝基苯乙酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-碘-5-硝基苯乙酸. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基-3-碘-5-硝基苯乙酸. Following Lipinski's Rule of Five, 4-羟基-3-碘-5-硝基苯乙酸 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 4-羟基-3-碘-5-硝基苯乙酸?
The CAS number of 4-羟基-3-碘-5-硝基苯乙酸 is 2646-51-7.
What is the molecular formula of 4-羟基-3-碘-5-硝基苯乙酸?
The molecular formula of 4-羟基-3-碘-5-硝基苯乙酸 is C8H6INO5.
What is the molecular weight of 4-羟基-3-碘-5-硝基苯乙酸?
The molecular weight of 4-羟基-3-碘-5-硝基苯乙酸 is 322.93 g/mol.
Where can I buy 4-羟基-3-碘-5-硝基苯乙酸?
You can request a quote for 4-羟基-3-碘-5-硝基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3-碘-5-硝基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-碘-5-硝基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.