UPCMLD0ENAT5835567:001
TL;DR: UPCMLD0ENAT5835567:001 (CAS 851940-62-0) 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-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: UPCMLD0ENAT5835567:001, AB00434033-09, F0634-0476, ethyl 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, ethyl [8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 0.5551 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1236.6482 |
Chemical Identifiers
| CAS Number | 851940-62-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3 |
Product Overview
UPCMLD0ENAT5835567:001 (CAS 851940-62-0), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: ethyl 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5835567:001
Property Insights of UPCMLD0ENAT5835567:001
The XLogP value of 0.5551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835567:001. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835567:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835567:001 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 UPCMLD0ENAT5835567:001?
The CAS number of UPCMLD0ENAT5835567:001 is 851940-62-0.
What is the molecular formula of UPCMLD0ENAT5835567:001?
The molecular formula of UPCMLD0ENAT5835567:001 is C21H25N5O4.
What is the molecular weight of UPCMLD0ENAT5835567:001?
The molecular weight of UPCMLD0ENAT5835567:001 is 411.19 g/mol.
Where can I buy UPCMLD0ENAT5835567:001?
You can request a quote for UPCMLD0ENAT5835567:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835567:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835567:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.