AB00668858-01
TL;DR: AB00668858-01 (CAS 536710-67-5) is a chemical compound with molecular formula C22H19FN4O3S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00668858-01, F0580-0662, 3-(4-fluorophenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-fluorophenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H19FN4O3S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.957 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.11618 |
| Heavy Atoms | 31 |
| Complexity | 1326.595 |
Chemical Identifiers
| CAS Number | 536710-67-5 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
AB00668858-01 (CAS 536710-67-5), with molecular formula C22H19FN4O3S and molecular weight 438.12 g/mol. IUPAC: 3-(4-fluorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00668858-01
Property Insights of AB00668858-01
The XLogP value of 2.957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668858-01. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668858-01. Following Lipinski's Rule of Five, AB00668858-01 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 AB00668858-01?
The CAS number of AB00668858-01 is 536710-67-5.
What is the molecular formula of AB00668858-01?
The molecular formula of AB00668858-01 is C22H19FN4O3S.
What is the molecular weight of AB00668858-01?
The molecular weight of AB00668858-01 is 438.12 g/mol.
Where can I buy AB00668858-01?
You can request a quote for AB00668858-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668858-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668858-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.