AB00121657-01
TL;DR: AB00121657-01 (CAS 327979-87-3) is a chemical compound with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: AB00121657-01, 3-(4-methoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, F1471-0002, 5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C21H19N3OS2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 5.3048 |
| Topological Polar Surface Area | 36.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.09695 |
| Heavy Atoms | 27 |
| Complexity | 937.32764 |
Chemical Identifiers
| CAS Number | 327979-87-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4 |
Product Overview
AB00121657-01 (CAS 327979-87-3), with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of AB00121657-01
Property Insights of AB00121657-01
The XLogP value of 5.3048 indicates that AB00121657-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.86 Ų, AB00121657-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00121657-01 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 AB00121657-01?
The CAS number of AB00121657-01 is 327979-87-3.
What is the molecular formula of AB00121657-01?
The molecular formula of AB00121657-01 is C21H19N3OS2.
What is the molecular weight of AB00121657-01?
The molecular weight of AB00121657-01 is 393.10 g/mol.
Where can I buy AB00121657-01?
You can request a quote for AB00121657-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121657-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121657-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.