AB00668331-01
TL;DR: AB00668331-01 (CAS 681276-85-7) is a chemical compound with molecular formula C25H21N3OS2 and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
Also Known As: AB00668331-01, F0545-0550, N-(benzo[d]thiazol-2-yl)-2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)acetamide, N-(1,3-benzothiazol-2-yl)-2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide, N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
| Molecular Formula | C25H21N3OS2 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 6.33852 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1126 |
| Heavy Atoms | 31 |
| Complexity | 1335.8491 |
Chemical Identifiers
| CAS Number | 681276-85-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AB00668331-01 (CAS 681276-85-7), with molecular formula C25H21N3OS2 and molecular weight 443.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
Chemical Property Profile of AB00668331-01
Property Insights of AB00668331-01
The XLogP value of 6.33852 indicates that AB00668331-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, AB00668331-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668331-01 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 AB00668331-01?
The CAS number of AB00668331-01 is 681276-85-7.
What is the molecular formula of AB00668331-01?
The molecular formula of AB00668331-01 is C25H21N3OS2.
What is the molecular weight of AB00668331-01?
The molecular weight of AB00668331-01 is 443.11 g/mol.
Where can I buy AB00668331-01?
You can request a quote for AB00668331-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668331-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668331-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.