F0580-0037
TL;DR: F0580-0037 (CAS 537668-02-3) is a chemical compound with molecular formula C21H17N5O2S2 and molecular weight 435.08 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-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0037, N-(6-methyl-1,3-benzothiazol-2-yl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, 2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide, N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H17N5O2S2 |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 4.06372 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.08237 |
| Heavy Atoms | 30 |
| Complexity | 1498.426 |
Chemical Identifiers
| CAS Number | 537668-02-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C)NC5=CC=CC=C54 |
Product Overview
F0580-0037 (CAS 537668-02-3), with molecular formula C21H17N5O2S2 and molecular weight 435.08 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0037
Property Insights of F0580-0037
The XLogP value of 4.06372 indicates that F0580-0037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0037. Following Lipinski's Rule of Five, F0580-0037 has 2 hydrogen bond donor(s) and 6 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 F0580-0037?
The CAS number of F0580-0037 is 537668-02-3.
What is the molecular formula of F0580-0037?
The molecular formula of F0580-0037 is C21H17N5O2S2.
What is the molecular weight of F0580-0037?
The molecular weight of F0580-0037 is 435.08 g/mol.
Where can I buy F0580-0037?
You can request a quote for F0580-0037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0037?
Yes, KEHONG BIO provides custom synthesis services for F0580-0037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.