UPCMLD0ENAT5791977:001
TL;DR: UPCMLD0ENAT5791977:001 (CAS 846580-83-4) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: UPCMLD0ENAT5791977:001, 1-(indolin-1-yl)-2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanone, 1-(2,3-dihydro-1H-indol-1-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(2,3-dihydroindol-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 4.36582 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 1184.7063 |
Chemical Identifiers
| CAS Number | 846580-83-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)OC5=CC=CC=C52 |
Product Overview
UPCMLD0ENAT5791977:001 (CAS 846580-83-4), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of UPCMLD0ENAT5791977:001
Property Insights of UPCMLD0ENAT5791977:001
The XLogP value of 4.36582 indicates that UPCMLD0ENAT5791977:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, UPCMLD0ENAT5791977:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5791977:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5791977:001?
The CAS number of UPCMLD0ENAT5791977:001 is 846580-83-4.
What is the molecular formula of UPCMLD0ENAT5791977:001?
The molecular formula of UPCMLD0ENAT5791977:001 is C21H17N3O2S.
What is the molecular weight of UPCMLD0ENAT5791977:001?
The molecular weight of UPCMLD0ENAT5791977:001 is 375.10 g/mol.
Where can I buy UPCMLD0ENAT5791977:001?
You can request a quote for UPCMLD0ENAT5791977:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5791977:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5791977:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.