AB01333899-02
TL;DR: AB01333899-02 (CAS 799794-73-3) is a chemical compound with molecular formula C20H23ClN2S and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-4-(2-chlorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione
Also Known As: AB01333899-02, 6-(2-chlorophenyl)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyrimidine-2-thiol, 6-(1-adamantyl)-4-(2-chlorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione, 6-((3r,5r,7r)-adamantan-1-yl)-4-(2-chlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione
| Molecular Formula | C20H23ClN2S |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.9591 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.12704 |
| Heavy Atoms | 24 |
| Complexity | 690.81976 |
Chemical Identifiers
| CAS Number | 799794-73-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(NC(=S)N4)C5=CC=CC=C5Cl |
Product Overview
AB01333899-02 (CAS 799794-73-3), with molecular formula C20H23ClN2S and molecular weight 358.13 g/mol. IUPAC: 6-(1-adamantyl)-4-(2-chlorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione.
Chemical Property Profile of AB01333899-02
Property Insights of AB01333899-02
The XLogP value of 4.9591 indicates that AB01333899-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, AB01333899-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01333899-02 has 2 hydrogen bond donor(s) and 1 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 AB01333899-02?
The CAS number of AB01333899-02 is 799794-73-3.
What is the molecular formula of AB01333899-02?
The molecular formula of AB01333899-02 is C20H23ClN2S.
What is the molecular weight of AB01333899-02?
The molecular weight of AB01333899-02 is 358.13 g/mol.
Where can I buy AB01333899-02?
You can request a quote for AB01333899-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01333899-02?
Yes, KEHONG BIO provides custom synthesis services for AB01333899-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.