UPCMLD0ENAT5732506:001
TL;DR: UPCMLD0ENAT5732506:001 (CAS 877778-94-4) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-(furan-2-ylmethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5732506:001, VU0606719-1, F3235-0972, 3-benzyl-9-(furan-2-ylmethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-benzyl-9-(furan-2-ylmethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 1.9483 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1282.093 |
Chemical Identifiers
| CAS Number | 877778-94-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CO5 |
Product Overview
UPCMLD0ENAT5732506:001 (CAS 877778-94-4), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: 3-benzyl-9-(furan-2-ylmethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5732506:001
Property Insights of UPCMLD0ENAT5732506:001
The XLogP value of 1.9483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5732506:001. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5732506:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5732506:001 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 UPCMLD0ENAT5732506:001?
The CAS number of UPCMLD0ENAT5732506:001 is 877778-94-4.
What is the molecular formula of UPCMLD0ENAT5732506:001?
The molecular formula of UPCMLD0ENAT5732506:001 is C21H21N5O3.
What is the molecular weight of UPCMLD0ENAT5732506:001?
The molecular weight of UPCMLD0ENAT5732506:001 is 391.16 g/mol.
Where can I buy UPCMLD0ENAT5732506:001?
You can request a quote for UPCMLD0ENAT5732506:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5732506:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5732506:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.