UPCMLD0ENAT5866584:001
TL;DR: UPCMLD0ENAT5866584:001 (CAS 577791-09-4) is a chemical compound with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(4-methylphenyl)methyl]-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
Also Known As: UPCMLD0ENAT5866584:001, (6-amino-2-{[(4-methylphenyl)methyl]amino}-5-nitropyrimidin-4-yl)(oxolan-2-ylm ethyl)amine, 2-N-[(4-methylphenyl)methyl]-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine, N~2~-(4-methylbenzyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine, N2-(4-methylbenzyl)-5-nitro-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4,6-triamine
| Molecular Formula | C17H22N6O3 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 2.47842 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.17532 |
| Heavy Atoms | 26 |
| Complexity | 774.8128 |
Chemical Identifiers
| CAS Number | 577791-09-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N |
Product Overview
UPCMLD0ENAT5866584:001 (CAS 577791-09-4), with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol. IUPAC: 2-N-[(4-methylphenyl)methyl]-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of UPCMLD0ENAT5866584:001
Property Insights of UPCMLD0ENAT5866584:001
The XLogP value of 2.47842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5866584:001. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5866584:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5866584:001 has 3 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5866584:001?
The CAS number of UPCMLD0ENAT5866584:001 is 577791-09-4.
What is the molecular formula of UPCMLD0ENAT5866584:001?
The molecular formula of UPCMLD0ENAT5866584:001 is C17H22N6O3.
What is the molecular weight of UPCMLD0ENAT5866584:001?
The molecular weight of UPCMLD0ENAT5866584:001 is 358.18 g/mol.
Where can I buy UPCMLD0ENAT5866584:001?
You can request a quote for UPCMLD0ENAT5866584:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5866584:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5866584:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.