UPCMLD0ENAT0517-9124:001
TL;DR: UPCMLD0ENAT0517-9124:001 (CAS 565199-43-1) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)sulfonyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: UPCMLD0ENAT0517-9124:001, 3-[(3,4-dimethylphenyl)sulfonyl]-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine, AO-022/43355421, 3-(3,4-dimethylphenyl)sulfonyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-amine, 3-((3,4-dimethylphenyl)sulfonyl)-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.61414 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1638.725 |
Chemical Identifiers
| CAS Number | 565199-43-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)OC)N)C |
Product Overview
UPCMLD0ENAT0517-9124:001 (CAS 565199-43-1), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: 3-(3,4-dimethylphenyl)sulfonyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-amine.
Chemical Property Profile of UPCMLD0ENAT0517-9124:001
Property Insights of UPCMLD0ENAT0517-9124:001
The XLogP value of 4.61414 indicates that UPCMLD0ENAT0517-9124:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0517-9124:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0517-9124:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT0517-9124:001?
The CAS number of UPCMLD0ENAT0517-9124:001 is 565199-43-1.
What is the molecular formula of UPCMLD0ENAT0517-9124:001?
The molecular formula of UPCMLD0ENAT0517-9124:001 is C25H22N4O3S.
What is the molecular weight of UPCMLD0ENAT0517-9124:001?
The molecular weight of UPCMLD0ENAT0517-9124:001 is 458.14 g/mol.
Where can I buy UPCMLD0ENAT0517-9124:001?
You can request a quote for UPCMLD0ENAT0517-9124:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0517-9124:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0517-9124:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.