AB00667168-01
TL;DR: AB00667168-01 (CAS 307510-80-1) is a chemical compound with molecular formula C22H17BrN2OS2 and molecular weight 468.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromobenzamide
Also Known As: AB00667168-01, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromobenzamide, F0289-0437, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-bromobenzamide
| Molecular Formula | C22H17BrN2OS2 |
|---|---|
| Molecular Weight | 468.00 g/mol |
| LogP | 6.9184 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.99658 |
| Heavy Atoms | 28 |
| Complexity | 1161.4453 |
Chemical Identifiers
| CAS Number | 307510-80-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C4=NC5=CC=CC=C5S4 |
Product Overview
AB00667168-01 (CAS 307510-80-1), with molecular formula C22H17BrN2OS2 and molecular weight 468.00 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-bromobenzamide.
Chemical Property Profile of AB00667168-01
Property Insights of AB00667168-01
The XLogP value of 6.9184 indicates that AB00667168-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, AB00667168-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00667168-01 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 AB00667168-01?
The CAS number of AB00667168-01 is 307510-80-1.
What is the molecular formula of AB00667168-01?
The molecular formula of AB00667168-01 is C22H17BrN2OS2.
What is the molecular weight of AB00667168-01?
The molecular weight of AB00667168-01 is 468.00 g/mol.
Where can I buy AB00667168-01?
You can request a quote for AB00667168-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667168-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667168-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.