AB00676982-01
TL;DR: AB00676982-01 (CAS 887214-97-3) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-3-(2-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00676982-01, F1882-0171, 2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-3-(2-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-3-(2-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-3-(2-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.8612 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 1247.1163 |
Chemical Identifiers
| CAS Number | 887214-97-3 |
|---|---|
| SMILES | C1COC(O1)CCSC2=NC3=C(C(=O)N2C4=CC=CC=C4F)NC5=CC=CC=C53 |
Product Overview
AB00676982-01 (CAS 887214-97-3), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-3-(2-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00676982-01
Property Insights of AB00676982-01
The XLogP value of 3.8612 indicates that AB00676982-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676982-01. Following Lipinski's Rule of Five, AB00676982-01 has 1 hydrogen bond donor(s) and 5 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 AB00676982-01?
The CAS number of AB00676982-01 is 887214-97-3.
What is the molecular formula of AB00676982-01?
The molecular formula of AB00676982-01 is C21H18FN3O3S.
What is the molecular weight of AB00676982-01?
The molecular weight of AB00676982-01 is 411.11 g/mol.
Where can I buy AB00676982-01?
You can request a quote for AB00676982-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676982-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676982-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.