UPCMLD0ENAT5868192:001
TL;DR: UPCMLD0ENAT5868192:001 (CAS 844448-72-2) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5868192:001, 3-butyl-9-(4-ethoxyphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-butyl-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-butyl-9-(4-ethoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-butyl-9-(4-ethoxyphenyl)-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroi no[1,2-h]purine-2,4-dione
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.6373 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1140.3086 |
Chemical Identifiers
| CAS Number | 844448-72-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)OCC)N(C1=O)C |
Product Overview
UPCMLD0ENAT5868192:001 (CAS 844448-72-2), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 3-butyl-9-(4-ethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5868192:001
Property Insights of UPCMLD0ENAT5868192:001
The XLogP value of 2.6373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5868192:001. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5868192:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5868192:001 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 UPCMLD0ENAT5868192:001?
The CAS number of UPCMLD0ENAT5868192:001 is 844448-72-2.
What is the molecular formula of UPCMLD0ENAT5868192:001?
The molecular formula of UPCMLD0ENAT5868192:001 is C21H27N5O3.
What is the molecular weight of UPCMLD0ENAT5868192:001?
The molecular weight of UPCMLD0ENAT5868192:001 is 397.21 g/mol.
Where can I buy UPCMLD0ENAT5868192:001?
You can request a quote for UPCMLD0ENAT5868192:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5868192:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5868192:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.