AB01334116-02
TL;DR: AB01334116-02 (CAS 499115-86-5) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB01334116-02, tert-butyl 6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, tert-butyl 4-methyl-6-(naphthalen-1-yl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, tert-butyl 6-methyl-4-(naphthalen-1-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.9743 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 875.3903 |
Chemical Identifiers
| CAS Number | 499115-86-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC3=CC=CC=C32)C(=O)OC(C)(C)C |
Product Overview
AB01334116-02 (CAS 499115-86-5), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: tert-butyl 6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB01334116-02
Property Insights of AB01334116-02
The XLogP value of 3.9743 indicates that AB01334116-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, AB01334116-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01334116-02 has 2 hydrogen bond donor(s) and 3 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 AB01334116-02?
The CAS number of AB01334116-02 is 499115-86-5.
What is the molecular formula of AB01334116-02?
The molecular formula of AB01334116-02 is C20H22N2O2S.
What is the molecular weight of AB01334116-02?
The molecular weight of AB01334116-02 is 354.14 g/mol.
Where can I buy AB01334116-02?
You can request a quote for AB01334116-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01334116-02?
Yes, KEHONG BIO provides custom synthesis services for AB01334116-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.