1R-1066
TL;DR: 1R-1066 (CAS 477872-23-4) is a chemical compound with molecular formula C21H16ClN3O3S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-N-(4-chloro-2-methylphenyl)pyrrolo[2,3-b]pyridine-2-carboxamide
Also Known As: 1R-1066, N-(4-chloro-2-methylphenyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide, 1-(benzenesulfonyl)-N-(4-chloro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide, 1-(benzenesulfonyl)-N-(4-chloro-2-methylphenyl)pyrrolo[2,3-b]pyridine-2-carboxamide
| Molecular Formula | C21H16ClN3O3S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 4.48742 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0601 |
| Heavy Atoms | 29 |
| Complexity | 1332.0575 |
Chemical Identifiers
| CAS Number | 477872-23-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3 |
Product Overview
1R-1066 (CAS 477872-23-4), with molecular formula C21H16ClN3O3S and molecular weight 425.06 g/mol. IUPAC: 1-(benzenesulfonyl)-N-(4-chloro-2-methylphenyl)pyrrolo[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of 1R-1066
Property Insights of 1R-1066
The XLogP value of 4.48742 indicates that 1R-1066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1R-1066. Following Lipinski's Rule of Five, 1R-1066 has 1 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 1R-1066?
The CAS number of 1R-1066 is 477872-23-4.
What is the molecular formula of 1R-1066?
The molecular formula of 1R-1066 is C21H16ClN3O3S.
What is the molecular weight of 1R-1066?
The molecular weight of 1R-1066 is 425.06 g/mol.
Where can I buy 1R-1066?
You can request a quote for 1R-1066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-1066?
Yes, KEHONG BIO provides custom synthesis services for 1R-1066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.