AB00672997-01
TL;DR: AB00672997-01 (CAS 681233-67-0) is a chemical compound with molecular formula C26H21N3O3S3 and molecular weight 519.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
Also Known As: AB00672997-01, F1009-0519, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)benzamide, 4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-N-{4H-thiochromeno[4,3-d][1,3]thiazol-2-yl}benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
| Molecular Formula | C26H21N3O3S3 |
|---|---|
| Molecular Weight | 519.07 g/mol |
| LogP | 5.4151 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.0745 |
| Heavy Atoms | 35 |
| Complexity | 1545.5677 |
Chemical Identifiers
| CAS Number | 681233-67-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)CSC6=CC=CC=C65 |
Product Overview
AB00672997-01 (CAS 681233-67-0), with molecular formula C26H21N3O3S3 and molecular weight 519.07 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
Chemical Property Profile of AB00672997-01
Property Insights of AB00672997-01
The XLogP value of 5.4151 indicates that AB00672997-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672997-01. Following Lipinski's Rule of Five, AB00672997-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672997-01?
The CAS number of AB00672997-01 is 681233-67-0.
What is the molecular formula of AB00672997-01?
The molecular formula of AB00672997-01 is C26H21N3O3S3.
What is the molecular weight of AB00672997-01?
The molecular weight of AB00672997-01 is 519.07 g/mol.
Where can I buy AB00672997-01?
You can request a quote for AB00672997-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672997-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672997-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.