2'-methoxy-4-nitrobiphenyl
TL;DR: 2'-methoxy-4-nitrobiphenyl (CAS 64600-48-2) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-methyl-2-methylsulfanyl-4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 2'-methoxy-4-nitrobiphenyl, 5-[(6-methyl-2-methylsulfanyl-4-oxopyrido[2,3-d]pyrimidin-8-, 5-[(6-methyl-2-methylsulfanyl-4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione, 5-{[6-Methyl-2-(methylsulfanyl)-4-oxopyrido[2,3-d]pyrimidin-8(4H)-yl]methyl}pyrimidine-2,4(1H,3H)-dione, 2,4(1H,3H)-Pyrimidinedione, 5-[[6-methyl-2-(methylthio)-4-oxopyrido[2,3-d]pyrimidin-8(4H)-yl]methyl]-
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 64600-48-2 |
|---|---|
| SMILES | CC1=CN(C2=NC(=NC(=O)C2=C1)SC)CC3=CNC(=O)NC3=O |
| InChIKey | KEDPSRKHOLYSJL-UHFFFAOYSA-N |
Product Overview
2'-methoxy-4-nitrobiphenyl (CAS 64600-48-2), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: 5-[(6-methyl-2-methylsulfanyl-4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2'-methoxy-4-nitrobiphenyl
Property Insights of 2'-methoxy-4-nitrobiphenyl
The XLogP value of -0.5 indicates that 2'-methoxy-4-nitrobiphenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-methoxy-4-nitrobiphenyl. Following Lipinski's Rule of Five, 2'-methoxy-4-nitrobiphenyl has 2 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 2'-methoxy-4-nitrobiphenyl?
The CAS number of 2'-methoxy-4-nitrobiphenyl is 64600-48-2.
What is the molecular formula of 2'-methoxy-4-nitrobiphenyl?
The molecular formula of 2'-methoxy-4-nitrobiphenyl is C14H13N5O3S.
What is the molecular weight of 2'-methoxy-4-nitrobiphenyl?
The molecular weight of 2'-methoxy-4-nitrobiphenyl is 331.07 g/mol.
Where can I buy 2'-methoxy-4-nitrobiphenyl?
You can request a quote for 2'-methoxy-4-nitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-methoxy-4-nitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2'-methoxy-4-nitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.