AB00681176-01
TL;DR: AB00681176-01 (CAS 886952-77-8) is a chemical compound with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: AB00681176-01, F2708-0345, 7-chloro-4-methoxy-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-benzothiazole, (4-(7-chloro-4-methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(thiophen-2-yl)methanone, [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
| Molecular Formula | C17H16ClN3O2S2 |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 3.9822 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.03726 |
| Heavy Atoms | 25 |
| Complexity | 902.1537 |
Chemical Identifiers
| CAS Number | 886952-77-8 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CS4 |
Product Overview
AB00681176-01 (CAS 886952-77-8), with molecular formula C17H16ClN3O2S2 and molecular weight 393.04 g/mol. IUPAC: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of AB00681176-01
Property Insights of AB00681176-01
The XLogP value of 3.9822 indicates that AB00681176-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, AB00681176-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00681176-01 has 0 hydrogen bond donor(s) and 6 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 AB00681176-01?
The CAS number of AB00681176-01 is 886952-77-8.
What is the molecular formula of AB00681176-01?
The molecular formula of AB00681176-01 is C17H16ClN3O2S2.
What is the molecular weight of AB00681176-01?
The molecular weight of AB00681176-01 is 393.04 g/mol.
Where can I buy AB00681176-01?
You can request a quote for AB00681176-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681176-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681176-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.