UPCMLD0ENAT5732483:001
TL;DR: UPCMLD0ENAT5732483:001 (CAS 877616-90-5) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-9-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5732483:001, VU0489923-1, F2013-0654, 3-butyl-9-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-butyl-9-(2,4-dimethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 2.2558 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1206.7979 |
Chemical Identifiers
| CAS Number | 877616-90-5 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N=C3N2CCCN3C4=C(C=C(C=C4)OC)OC)N(C1=O)C |
Product Overview
UPCMLD0ENAT5732483:001 (CAS 877616-90-5), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 3-butyl-9-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5732483:001
Property Insights of UPCMLD0ENAT5732483:001
The XLogP value of 2.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5732483:001. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5732483:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5732483:001 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 UPCMLD0ENAT5732483:001?
The CAS number of UPCMLD0ENAT5732483:001 is 877616-90-5.
What is the molecular formula of UPCMLD0ENAT5732483:001?
The molecular formula of UPCMLD0ENAT5732483:001 is C21H27N5O4.
What is the molecular weight of UPCMLD0ENAT5732483:001?
The molecular weight of UPCMLD0ENAT5732483:001 is 413.21 g/mol.
Where can I buy UPCMLD0ENAT5732483:001?
You can request a quote for UPCMLD0ENAT5732483:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5732483:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5732483:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.