F0580-0087
TL;DR: F0580-0087 (CAS 537668-52-3) is a chemical compound with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0087, N-(3-chloro-4-methylphenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H17ClN4O2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.10742 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07608 |
| Heavy Atoms | 28 |
| Complexity | 1278.662 |
Chemical Identifiers
| CAS Number | 537668-52-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43)Cl |
Product Overview
F0580-0087 (CAS 537668-52-3), with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0087
Property Insights of F0580-0087
The XLogP value of 4.10742 indicates that F0580-0087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0087. Following Lipinski's Rule of Five, F0580-0087 has 2 hydrogen bond donor(s) and 4 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 F0580-0087?
The CAS number of F0580-0087 is 537668-52-3.
What is the molecular formula of F0580-0087?
The molecular formula of F0580-0087 is C20H17ClN4O2S.
What is the molecular weight of F0580-0087?
The molecular weight of F0580-0087 is 412.08 g/mol.
Where can I buy F0580-0087?
You can request a quote for F0580-0087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0087?
Yes, KEHONG BIO provides custom synthesis services for F0580-0087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.