BRD-K72147392-001-01-1
TL;DR: BRD-K72147392-001-01-1 (CAS 877795-02-3) is a chemical compound with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: BRD-K72147392-001-01-1, 3-butyl-1-methyl-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-butyl-1-methyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-butyl-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-butyl-1-methyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C21H27N5O2 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 2.1496 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.21646 |
| Heavy Atoms | 28 |
| Complexity | 1093.9119 |
Chemical Identifiers
| CAS Number | 877795-02-3 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC=CC=C4)N(C1=O)C |
Product Overview
BRD-K72147392-001-01-1 (CAS 877795-02-3), with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol. IUPAC: 3-butyl-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of BRD-K72147392-001-01-1
Property Insights of BRD-K72147392-001-01-1
The XLogP value of 2.1496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K72147392-001-01-1. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K72147392-001-01-1. Following Lipinski's Rule of Five, BRD-K72147392-001-01-1 has 0 hydrogen bond donor(s) and 4 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 BRD-K72147392-001-01-1?
The CAS number of BRD-K72147392-001-01-1 is 877795-02-3.
What is the molecular formula of BRD-K72147392-001-01-1?
The molecular formula of BRD-K72147392-001-01-1 is C21H27N5O2.
What is the molecular weight of BRD-K72147392-001-01-1?
The molecular weight of BRD-K72147392-001-01-1 is 381.22 g/mol.
Where can I buy BRD-K72147392-001-01-1?
You can request a quote for BRD-K72147392-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K72147392-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-K72147392-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.