AB00668807-01
TL;DR: AB00668807-01 (CAS 537668-75-0) is a chemical compound with molecular formula C22H18N6O2S3 and molecular weight 494.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: AB00668807-01, F0580-0108, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H18N6O2S3 |
|---|---|
| Molecular Weight | 494.07 g/mol |
| LogP | 4.5613 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.06534 |
| Heavy Atoms | 33 |
| Complexity | 1509.4401 |
Chemical Identifiers
| CAS Number | 537668-75-0 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
AB00668807-01 (CAS 537668-75-0), with molecular formula C22H18N6O2S3 and molecular weight 494.07 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00668807-01
Property Insights of AB00668807-01
The XLogP value of 4.5613 indicates that AB00668807-01 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 AB00668807-01. Following Lipinski's Rule of Five, AB00668807-01 has 2 hydrogen bond donor(s) and 8 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 AB00668807-01?
The CAS number of AB00668807-01 is 537668-75-0.
What is the molecular formula of AB00668807-01?
The molecular formula of AB00668807-01 is C22H18N6O2S3.
What is the molecular weight of AB00668807-01?
The molecular weight of AB00668807-01 is 494.07 g/mol.
Where can I buy AB00668807-01?
You can request a quote for AB00668807-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668807-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668807-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.