UPCMLD0ENAT5872426:001
TL;DR: UPCMLD0ENAT5872426:001 (CAS 845633-05-8) is a chemical compound with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5872426:001, 9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-1,3,5-trihydro-6H,7H,8H-1,3-d iazaperhydroino[1,2-h]purine-2,4-dione, 9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C23H31N5O2 |
|---|---|
| Molecular Weight | 409.25 g/mol |
| LogP | 3.293 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.24777 |
| Heavy Atoms | 30 |
| Complexity | 1183.4994 |
Chemical Identifiers
| CAS Number | 845633-05-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C)C |
Product Overview
UPCMLD0ENAT5872426:001 (CAS 845633-05-8), with molecular formula C23H31N5O2 and molecular weight 409.25 g/mol. IUPAC: 9-(4-ethylphenyl)-1,7-dimethyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5872426:001
Property Insights of UPCMLD0ENAT5872426:001
The XLogP value of 3.293 indicates that UPCMLD0ENAT5872426:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5872426:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5872426:001 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 UPCMLD0ENAT5872426:001?
The CAS number of UPCMLD0ENAT5872426:001 is 845633-05-8.
What is the molecular formula of UPCMLD0ENAT5872426:001?
The molecular formula of UPCMLD0ENAT5872426:001 is C23H31N5O2.
What is the molecular weight of UPCMLD0ENAT5872426:001?
The molecular weight of UPCMLD0ENAT5872426:001 is 409.25 g/mol.
Where can I buy UPCMLD0ENAT5872426:001?
You can request a quote for UPCMLD0ENAT5872426:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5872426:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5872426:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.