UPCMLD0ENAT5834897:001
TL;DR: UPCMLD0ENAT5834897:001 (CAS 851941-57-6) is a chemical compound with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5834897:001, AB00593808-06, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione, F0634-0619, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine
| Molecular Formula | C20H25N5O3 |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 0.3744 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.19574 |
| Heavy Atoms | 28 |
| Complexity | 1141.1743 |
Chemical Identifiers
| CAS Number | 851941-57-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCCO |
Product Overview
UPCMLD0ENAT5834897:001 (CAS 851941-57-6), with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5834897:001
Property Insights of UPCMLD0ENAT5834897:001
The XLogP value of 0.3744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5834897:001. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5834897:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5834897:001 has 1 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 UPCMLD0ENAT5834897:001?
The CAS number of UPCMLD0ENAT5834897:001 is 851941-57-6.
What is the molecular formula of UPCMLD0ENAT5834897:001?
The molecular formula of UPCMLD0ENAT5834897:001 is C20H25N5O3.
What is the molecular weight of UPCMLD0ENAT5834897:001?
The molecular weight of UPCMLD0ENAT5834897:001 is 383.20 g/mol.
Where can I buy UPCMLD0ENAT5834897:001?
You can request a quote for UPCMLD0ENAT5834897:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5834897:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5834897:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.