AB00668885-01
TL;DR: AB00668885-01 (CAS 536716-99-1) is a chemical compound with molecular formula C26H18N6O4S2 and molecular weight 542.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668885-01, F0580-1071, N-(6-methyl-1,3-benzothiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(6-methylbenzo[d]thiazol-2-yl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H18N6O4S2 |
|---|---|
| Molecular Weight | 542.08 g/mol |
| LogP | 5.42412 |
| Topological Polar Surface Area | 135.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.08307 |
| Heavy Atoms | 38 |
| Complexity | 1941.6528 |
Chemical Identifiers
| CAS Number | 536716-99-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64 |
Product Overview
AB00668885-01 (CAS 536716-99-1), with molecular formula C26H18N6O4S2 and molecular weight 542.08 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668885-01
Property Insights of AB00668885-01
The XLogP value of 5.42412 indicates that AB00668885-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668885-01. Following Lipinski's Rule of Five, AB00668885-01 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668885-01?
The CAS number of AB00668885-01 is 536716-99-1.
What is the molecular formula of AB00668885-01?
The molecular formula of AB00668885-01 is C26H18N6O4S2.
What is the molecular weight of AB00668885-01?
The molecular weight of AB00668885-01 is 542.08 g/mol.
Where can I buy AB00668885-01?
You can request a quote for AB00668885-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668885-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668885-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.