UPCMLD0ENAT5801377:001
TL;DR: UPCMLD0ENAT5801377:001 (CAS 899401-91-3) is a chemical compound with molecular formula C22H25BrN6O2 and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5801377:001, F3235-1321, 8-(4-bromophenyl)-1,7-dimethyl-3-(2-(piperidin-1-yl)ethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-(4-bromophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(4-bromophenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C22H25BrN6O2 |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 2.69542 |
| Topological Polar Surface Area | 69.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.12225 |
| Heavy Atoms | 31 |
| Complexity | 1386.3918 |
Chemical Identifiers
| CAS Number | 899401-91-3 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)Br)N(C(=O)N(C3=O)CCN5CCCCC5)C |
Product Overview
UPCMLD0ENAT5801377:001 (CAS 899401-91-3), with molecular formula C22H25BrN6O2 and molecular weight 484.12 g/mol. IUPAC: 6-(4-bromophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5801377:001
Property Insights of UPCMLD0ENAT5801377:001
The XLogP value of 2.69542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801377:001. The TPSA of 69.47 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801377:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801377:001 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 UPCMLD0ENAT5801377:001?
The CAS number of UPCMLD0ENAT5801377:001 is 899401-91-3.
What is the molecular formula of UPCMLD0ENAT5801377:001?
The molecular formula of UPCMLD0ENAT5801377:001 is C22H25BrN6O2.
What is the molecular weight of UPCMLD0ENAT5801377:001?
The molecular weight of UPCMLD0ENAT5801377:001 is 484.12 g/mol.
Where can I buy UPCMLD0ENAT5801377:001?
You can request a quote for UPCMLD0ENAT5801377:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801377:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801377:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.