AB00022800-01
TL;DR: AB00022800-01 (CAS 701945-17-7) is a chemical compound with molecular formula C21H25Cl2N3O2S and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
Also Known As: AB00022800-01, 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide, [4-(3,4-dichlorophenyl)piperazinyl]{[2-(3,4-dimethoxyphenyl)ethyl]amino}methan e-1-thione
| Molecular Formula | C21H25Cl2N3O2S |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 4.2498 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.10446 |
| Heavy Atoms | 29 |
| Complexity | 857.815 |
Chemical Identifiers
| CAS Number | 701945-17-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)OC |
Product Overview
AB00022800-01 (CAS 701945-17-7), with molecular formula C21H25Cl2N3O2S and molecular weight 453.10 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of AB00022800-01
Property Insights of AB00022800-01
The XLogP value of 4.2498 indicates that AB00022800-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.97 Ų, AB00022800-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00022800-01 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 AB00022800-01?
The CAS number of AB00022800-01 is 701945-17-7.
What is the molecular formula of AB00022800-01?
The molecular formula of AB00022800-01 is C21H25Cl2N3O2S.
What is the molecular weight of AB00022800-01?
The molecular weight of AB00022800-01 is 453.10 g/mol.
Where can I buy AB00022800-01?
You can request a quote for AB00022800-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00022800-01?
Yes, KEHONG BIO provides custom synthesis services for AB00022800-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.