2-氯-1-苯基-1H-吲哚-3,7-二甲酸
TL;DR: 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 (CAS 66335-18-0) is a chemical compound with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-1-苯基-1H-吲哚-3,7-二甲酸
2-chloro-1-phenylindole-3,7-dicarboxylic acid
Also Known As: 2-chloro-1-phenylindole-3,7-dicarboxylic acid, 2-Chloro-1-phenyl-1H-indole-3,7-dicarboxylic acid, 1H-Indole-3,7-dicarboxylicacid,2-chloro-1-phenyl, 1H-Indole-3,7-dicarboxylicacid, 2-chloro-1-phenyl-
| Molecular Formula | C16H10ClNO4 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.02985 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 66335-18-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=CC=C3C(=O)O)C(=C2Cl)C(=O)O |
| InChIKey | REZHNXHVQDWZOB-UHFFFAOYSA-N |
Product Overview
2-氯-1-苯基-1H-吲哚-3,7-二甲酸 (CAS 66335-18-0), with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol. IUPAC: 2-chloro-1-phenylindole-3,7-dicarboxylic acid.
Chemical Property Profile of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸
Property Insights of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸
The XLogP value of 3.7 indicates that 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-1-苯基-1H-吲哚-3,7-二甲酸. Following Lipinski's Rule of Five, 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 has 2 hydrogen bond donor(s) and 4 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 2-氯-1-苯基-1H-吲哚-3,7-二甲酸?
The CAS number of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 is 66335-18-0.
What is the molecular formula of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸?
The molecular formula of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 is C16H10ClNO4.
What is the molecular weight of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸?
The molecular weight of 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 is 315.03 g/mol.
Where can I buy 2-氯-1-苯基-1H-吲哚-3,7-二甲酸?
You can request a quote for 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-1-苯基-1H-吲哚-3,7-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-1-苯基-1H-吲哚-3,7-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.