UPCMLD0ENAT5730451:001
TL;DR: UPCMLD0ENAT5730451:001 (CAS 374096-54-5) is a chemical compound with molecular formula C19H18BrN7O3 and molecular weight 471.07 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]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730451:001, (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1,3-dimethyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, 8-[(2Z)-2-(5-BROMO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)HYDRAZINO]-1,3-DIMETHYL-7-(2-METHYL-2-PROPENYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
| Molecular Formula | C19H18BrN7O3 |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 3.3746 |
| Topological Polar Surface Area | 122.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.06546 |
| Heavy Atoms | 30 |
| Complexity | 1486.3186 |
Chemical Identifiers
| CAS Number | 374096-54-5 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1N=NC3=C(NC4=C3C=C(C=C4)Br)O)N(C(=O)N(C2=O)C)C |
Product Overview
UPCMLD0ENAT5730451:001 (CAS 374096-54-5), with molecular formula C19H18BrN7O3 and molecular weight 471.07 g/mol. IUPAC: 8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5730451:001
Property Insights of UPCMLD0ENAT5730451:001
The XLogP value of 3.3746 indicates that UPCMLD0ENAT5730451:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.56 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5730451:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5730451:001 has 2 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 UPCMLD0ENAT5730451:001?
The CAS number of UPCMLD0ENAT5730451:001 is 374096-54-5.
What is the molecular formula of UPCMLD0ENAT5730451:001?
The molecular formula of UPCMLD0ENAT5730451:001 is C19H18BrN7O3.
What is the molecular weight of UPCMLD0ENAT5730451:001?
The molecular weight of UPCMLD0ENAT5730451:001 is 471.07 g/mol.
Where can I buy UPCMLD0ENAT5730451:001?
You can request a quote for UPCMLD0ENAT5730451:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5730451:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5730451:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.