UPCMLD0ENAT5865491:001
TL;DR: UPCMLD0ENAT5865491:001 (CAS 836652-68-7) is a chemical compound with molecular formula C16H20N6O4 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-methoxyphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
Also Known As: UPCMLD0ENAT5865491:001, 4-N-(4-methoxyphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine, N'-(4-Methoxy-phenyl)-5-nitro-N-(tetrahydro-furan-2-ylmethyl)-pyrimidine-2,4,6-triamine, [4-amino-5-nitro-6-(p-anisidino)pyrimidin-2-yl]-(tetrahydrofurfuryl)amine, {6-amino-5-nitro-2-[(oxolan-2-ylmethyl)amino]pyrimidin-4-yl}(4-methoxyphenyl)a mine
| Molecular Formula | C16H20N6O4 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 2.3101 |
| Topological Polar Surface Area | 137.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.1546 |
| Heavy Atoms | 26 |
| Complexity | 777.05457 |
Chemical Identifiers
| CAS Number | 836652-68-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3 |
Product Overview
UPCMLD0ENAT5865491:001 (CAS 836652-68-7), with molecular formula C16H20N6O4 and molecular weight 360.15 g/mol. IUPAC: 4-N-(4-methoxyphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of UPCMLD0ENAT5865491:001
Property Insights of UPCMLD0ENAT5865491:001
The XLogP value of 2.3101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5865491:001. The TPSA of 137.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5865491:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5865491:001 has 3 hydrogen bond donor(s) and 9 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 UPCMLD0ENAT5865491:001?
The CAS number of UPCMLD0ENAT5865491:001 is 836652-68-7.
What is the molecular formula of UPCMLD0ENAT5865491:001?
The molecular formula of UPCMLD0ENAT5865491:001 is C16H20N6O4.
What is the molecular weight of UPCMLD0ENAT5865491:001?
The molecular weight of UPCMLD0ENAT5865491:001 is 360.15 g/mol.
Where can I buy UPCMLD0ENAT5865491:001?
You can request a quote for UPCMLD0ENAT5865491:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5865491:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5865491:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.