UPCMLD0ENAT5861830:001
TL;DR: UPCMLD0ENAT5861830:001 (CAS 896299-98-2) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5861830:001, F2582-0148, 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(4-butylphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 8-(4-butylphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 2.17202 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 1321.7994 |
Chemical Identifiers
| CAS Number | 896299-98-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C |
Product Overview
UPCMLD0ENAT5861830:001 (CAS 896299-98-2), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5861830:001
Property Insights of UPCMLD0ENAT5861830:001
The XLogP value of 2.17202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5861830:001. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5861830:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5861830:001 has 1 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 UPCMLD0ENAT5861830:001?
The CAS number of UPCMLD0ENAT5861830:001 is 896299-98-2.
What is the molecular formula of UPCMLD0ENAT5861830:001?
The molecular formula of UPCMLD0ENAT5861830:001 is C22H27N5O3.
What is the molecular weight of UPCMLD0ENAT5861830:001?
The molecular weight of UPCMLD0ENAT5861830:001 is 409.21 g/mol.
Where can I buy UPCMLD0ENAT5861830:001?
You can request a quote for UPCMLD0ENAT5861830:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5861830:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5861830:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.