Tox21_500371
TL;DR: Tox21_500371 (CAS 186392-40-5) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[(2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
Also Known As: Tox21_500371, s2717, 1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-(dimethylamino)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-, 5-chloro-N-((2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-indole-2-carboxamide, CP-91149, >=98% (HPLC)
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.6115 |
| Topological Polar Surface Area | 85.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.13498 |
| Heavy Atoms | 28 |
| Complexity | 984.9843 |
Chemical Identifiers
| CAS Number | 186392-40-5 |
|---|---|
| SMILES | CN(C)C(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O |
Product Overview
Tox21_500371 (CAS 186392-40-5), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: 5-chloro-N-[(2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide.
Chemical Property Profile of Tox21_500371
Property Insights of Tox21_500371
The XLogP value of 2.6115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tox21_500371. The TPSA of 85.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_500371. Following Lipinski's Rule of Five, Tox21_500371 has 3 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 Tox21_500371?
The CAS number of Tox21_500371 is 186392-40-5.
What is the molecular formula of Tox21_500371?
The molecular formula of Tox21_500371 is C21H22ClN3O3.
What is the molecular weight of Tox21_500371?
The molecular weight of Tox21_500371 is 399.13 g/mol.
Where can I buy Tox21_500371?
You can request a quote for Tox21_500371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_500371?
Yes, KEHONG BIO provides custom synthesis services for Tox21_500371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.