UPCMLD0ENAT5829912:001
TL;DR: UPCMLD0ENAT5829912:001 (CAS 372184-52-6) is a chemical compound with molecular formula C18H16BrN7O3 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5829912:001, (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one, 8-{2-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H16BrN7O3 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 3.3642 |
| Topological Polar Surface Area | 133.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.0498 |
| Heavy Atoms | 29 |
| Complexity | 1437.9388 |
Chemical Identifiers
| CAS Number | 372184-52-6 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1N=NC3=C(NC4=C3C=C(C=C4)Br)O)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5829912:001 (CAS 372184-52-6), with molecular formula C18H16BrN7O3 and molecular weight 457.05 g/mol. IUPAC: 8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829912:001
Property Insights of UPCMLD0ENAT5829912:001
The XLogP value of 3.3642 indicates that UPCMLD0ENAT5829912:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.42 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829912:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829912:001 has 3 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5829912:001?
The CAS number of UPCMLD0ENAT5829912:001 is 372184-52-6.
What is the molecular formula of UPCMLD0ENAT5829912:001?
The molecular formula of UPCMLD0ENAT5829912:001 is C18H16BrN7O3.
What is the molecular weight of UPCMLD0ENAT5829912:001?
The molecular weight of UPCMLD0ENAT5829912:001 is 457.05 g/mol.
Where can I buy UPCMLD0ENAT5829912:001?
You can request a quote for UPCMLD0ENAT5829912:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829912:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829912:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.