AB01333644-02
TL;DR: AB01333644-02 (CAS 828277-65-2) is a chemical compound with molecular formula C18H21BrN4OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-bromonaphthalen-2-yl)oxymethyl]-4-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-5-thione
Also Known As: AB01333644-02, 3-[(6-bromonaphthalen-2-yl)oxymethyl]-4-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-5-thione, 5-(((6-bromonaphthalen-2-yl)oxy)methyl)-4-(3-(dimethylamino)propyl)-4H-1,2,4-triazole-3-thiol, 5-[(6-bromonaphthalen-2-yl)oxymethyl]-4-(3-dimethylaminopropyl)-2H-1,2,4-triazole-3-thione, 5-{[(6-BROMO-2-NAPHTHYL)OXY]METHYL}-4-[3-(DIMETHYLAMINO)PROPYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C18H21BrN4OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.38709 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.06195 |
| Heavy Atoms | 25 |
| Complexity | 918.8252 |
Chemical Identifiers
| CAS Number | 828277-65-2 |
|---|---|
| SMILES | CN(C)CCCN1C(=NNC1=S)COC2=CC3=C(C=C2)C=C(C=C3)Br |
Product Overview
AB01333644-02 (CAS 828277-65-2), with molecular formula C18H21BrN4OS and molecular weight 420.06 g/mol. IUPAC: 3-[(6-bromonaphthalen-2-yl)oxymethyl]-4-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB01333644-02
Property Insights of AB01333644-02
The XLogP value of 4.38709 indicates that AB01333644-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.08 Ų, AB01333644-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01333644-02 has 1 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 AB01333644-02?
The CAS number of AB01333644-02 is 828277-65-2.
What is the molecular formula of AB01333644-02?
The molecular formula of AB01333644-02 is C18H21BrN4OS.
What is the molecular weight of AB01333644-02?
The molecular weight of AB01333644-02 is 420.06 g/mol.
Where can I buy AB01333644-02?
You can request a quote for AB01333644-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01333644-02?
Yes, KEHONG BIO provides custom synthesis services for AB01333644-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.