Naphthalene,2-methyl-1-(2-methylphenyl)
TL;DR: Naphthalene,2-methyl-1-(2-methylphenyl) (CAS 93871-94-4) is a chemical compound with molecular formula C18H19N5O5S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
Also Known As: Naphthalene,2-methyl-1-(2-methylphenyl), 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone, 6-[(2-oxo-2-phenylethyl)sulfanyl]-9-pentofuranosyl-9H-purin-2-amine
| Molecular Formula | C18H19N5O5S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1107 |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 93871-94-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N |
| InChIKey | DNIXAMDGYCWMEV-UHFFFAOYSA-N |
Product Overview
Naphthalene,2-methyl-1-(2-methylphenyl) (CAS 93871-94-4), with molecular formula C18H19N5O5S and molecular weight 417.11 g/mol. IUPAC: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone.
Chemical Property Profile of Naphthalene,2-methyl-1-(2-methylphenyl)
Property Insights of Naphthalene,2-methyl-1-(2-methylphenyl)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalene,2-methyl-1-(2-methylphenyl). The TPSA of 182.0 Ų indicates high polarity, suggesting Naphthalene,2-methyl-1-(2-methylphenyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthalene,2-methyl-1-(2-methylphenyl) has 4 hydrogen bond donor(s) and 10 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 Naphthalene,2-methyl-1-(2-methylphenyl)?
The CAS number of Naphthalene,2-methyl-1-(2-methylphenyl) is 93871-94-4.
What is the molecular formula of Naphthalene,2-methyl-1-(2-methylphenyl)?
The molecular formula of Naphthalene,2-methyl-1-(2-methylphenyl) is C18H19N5O5S.
What is the molecular weight of Naphthalene,2-methyl-1-(2-methylphenyl)?
The molecular weight of Naphthalene,2-methyl-1-(2-methylphenyl) is 417.11 g/mol.
Where can I buy Naphthalene,2-methyl-1-(2-methylphenyl)?
You can request a quote for Naphthalene,2-methyl-1-(2-methylphenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalene,2-methyl-1-(2-methylphenyl)?
Yes, KEHONG BIO provides custom synthesis services for Naphthalene,2-methyl-1-(2-methylphenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.