F0580-0413
TL;DR: F0580-0413 (CAS 536706-60-2) is a chemical compound with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: F0580-0413, 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide, 2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide, 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C27H21N5O3S2 |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 5.52452 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.1086 |
| Heavy Atoms | 37 |
| Complexity | 1871.5775 |
Chemical Identifiers
| CAS Number | 536706-60-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC=C5)OC)NC6=CC=CC=C64 |
Product Overview
F0580-0413 (CAS 536706-60-2), with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol. IUPAC: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of F0580-0413
Property Insights of F0580-0413
The XLogP value of 5.52452 indicates that F0580-0413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.9 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0413. Following Lipinski's Rule of Five, F0580-0413 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0413?
The CAS number of F0580-0413 is 536706-60-2.
What is the molecular formula of F0580-0413?
The molecular formula of F0580-0413 is C27H21N5O3S2.
What is the molecular weight of F0580-0413?
The molecular weight of F0580-0413 is 527.11 g/mol.
Where can I buy F0580-0413?
You can request a quote for F0580-0413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0413?
Yes, KEHONG BIO provides custom synthesis services for F0580-0413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.