UPCMLD0ENAT5801379:001
TL;DR: UPCMLD0ENAT5801379:001 (CAS 849912-70-5) is a chemical compound with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate
Also Known As: UPCMLD0ENAT5801379:001, VU0606716-1, methyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate, methyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate, methyl 2-(9-benzyl-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate
| Molecular Formula | C19H21N5O4 |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.15936 |
| Heavy Atoms | 28 |
| Complexity | 1159.0112 |
Chemical Identifiers
| CAS Number | 849912-70-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCCN(C3=N2)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5801379:001 (CAS 849912-70-5), with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol. IUPAC: methyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate.
Chemical Property Profile of UPCMLD0ENAT5801379:001
Property Insights of UPCMLD0ENAT5801379:001
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801379:001. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801379:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801379:001 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 UPCMLD0ENAT5801379:001?
The CAS number of UPCMLD0ENAT5801379:001 is 849912-70-5.
What is the molecular formula of UPCMLD0ENAT5801379:001?
The molecular formula of UPCMLD0ENAT5801379:001 is C19H21N5O4.
What is the molecular weight of UPCMLD0ENAT5801379:001?
The molecular weight of UPCMLD0ENAT5801379:001 is 383.16 g/mol.
Where can I buy UPCMLD0ENAT5801379:001?
You can request a quote for UPCMLD0ENAT5801379:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801379:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801379:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.