Mdl 29951
TL;DR: Mdl 29951 (CAS 101861-63-6) is a chemical compound with molecular formula C12H9Cl2NO4 and molecular weight 300.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
Also Known As: Mdl 29951, 1lev, 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid, Maybridge3_007017, Biomol-NT_000207
| Molecular Formula | C12H9Cl2NO4 |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.99088 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 101861-63-6 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl |
| InChIKey | KNBSYZNKEAWABY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 29951 (CAS 101861-63-6), with molecular formula C12H9Cl2NO4 and molecular weight 300.99 g/mol. IUPAC: 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid.
Chemical Property Profile of Mdl 29951
Property Insights of Mdl 29951
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 29951. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 29951. Following Lipinski's Rule of Five, Mdl 29951 has 3 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 Mdl 29951?
The CAS number of Mdl 29951 is 101861-63-6.
What is the molecular formula of Mdl 29951?
The molecular formula of Mdl 29951 is C12H9Cl2NO4.
What is the molecular weight of Mdl 29951?
The molecular weight of Mdl 29951 is 300.99 g/mol.
Where can I buy Mdl 29951?
You can request a quote for Mdl 29951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 29951?
Yes, KEHONG BIO provides custom synthesis services for Mdl 29951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.