UPCMLD0ENAT5733477:001
TL;DR: UPCMLD0ENAT5733477:001 (CAS 842954-93-2) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetate
Also Known As: UPCMLD0ENAT5733477:001, BAS 00288284, VU0216204-4, (1-Methyl-2,4-dioxo-9-p-tolyl-1,2,4,5,6,7,8,9-octahydro-1,3,4b,9,10-pentaaza-benzo[a]azulen-3-yl)-acetic acid ethyl ester, ethyl 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 842954-93-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CCCCN3C4=CC=C(C=C4)C)N(C1=O)C |
| InChIKey | XIXULQCZEQCDPZ-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5733477:001 (CAS 842954-93-2), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: ethyl 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5733477:001
Property Insights of UPCMLD0ENAT5733477:001
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733477:001. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733477:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733477:001 has 0 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 UPCMLD0ENAT5733477:001?
The CAS number of UPCMLD0ENAT5733477:001 is 842954-93-2.
What is the molecular formula of UPCMLD0ENAT5733477:001?
The molecular formula of UPCMLD0ENAT5733477:001 is C21H25N5O4.
What is the molecular weight of UPCMLD0ENAT5733477:001?
The molecular weight of UPCMLD0ENAT5733477:001 is 411.19 g/mol.
Where can I buy UPCMLD0ENAT5733477:001?
You can request a quote for UPCMLD0ENAT5733477:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733477:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733477:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.