ChemDiv2_005641
TL;DR: ChemDiv2_005641 (CAS 536710-81-3) is a chemical compound with molecular formula C21H15FN6O2S2 and molecular weight 466.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv2_005641, IDI1_004356, 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, F0580-0670, 2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C21H15FN6O2S2 |
|---|---|
| Molecular Weight | 466.07 g/mol |
| LogP | 3.89682 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0682 |
| Heavy Atoms | 32 |
| Complexity | 1523.4265 |
Chemical Identifiers
| CAS Number | 536710-81-3 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
ChemDiv2_005641 (CAS 536710-81-3), with molecular formula C21H15FN6O2S2 and molecular weight 466.07 g/mol. IUPAC: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv2_005641
Property Insights of ChemDiv2_005641
The XLogP value of 3.89682 indicates that ChemDiv2_005641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005641. Following Lipinski's Rule of Five, ChemDiv2_005641 has 2 hydrogen bond donor(s) and 7 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 ChemDiv2_005641?
The CAS number of ChemDiv2_005641 is 536710-81-3.
What is the molecular formula of ChemDiv2_005641?
The molecular formula of ChemDiv2_005641 is C21H15FN6O2S2.
What is the molecular weight of ChemDiv2_005641?
The molecular weight of ChemDiv2_005641 is 466.07 g/mol.
Where can I buy ChemDiv2_005641?
You can request a quote for ChemDiv2_005641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005641?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.