AB01333732-02
TL;DR: AB01333732-02 (CAS 828291-41-4) is a chemical compound with molecular formula C23H29ClN4OS and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione
Also Known As: AB01333732-02, 3-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione, 5-{4-[(2-CHLORO-5-METHYLPHENOXY)METHYL]PHENYL}-4-[3-(DIETHYLAMINO)PROPYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-{4-[(2-chloro-5-methylphenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C23H29ClN4OS |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 5.88041 |
| Topological Polar Surface Area | 46.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.17505 |
| Heavy Atoms | 30 |
| Complexity | 1008.7877 |
Chemical Identifiers
| CAS Number | 828291-41-4 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=C(C=CC(=C3)C)Cl |
Product Overview
AB01333732-02 (CAS 828291-41-4), with molecular formula C23H29ClN4OS and molecular weight 444.18 g/mol. IUPAC: 3-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-4-[3-(diethylamino)propyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB01333732-02
Property Insights of AB01333732-02
The XLogP value of 5.88041 indicates that AB01333732-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.08 Ų, AB01333732-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01333732-02 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01333732-02?
The CAS number of AB01333732-02 is 828291-41-4.
What is the molecular formula of AB01333732-02?
The molecular formula of AB01333732-02 is C23H29ClN4OS.
What is the molecular weight of AB01333732-02?
The molecular weight of AB01333732-02 is 444.18 g/mol.
Where can I buy AB01333732-02?
You can request a quote for AB01333732-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01333732-02?
Yes, KEHONG BIO provides custom synthesis services for AB01333732-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.