AB00618018-04
TL;DR: AB00618018-04 (CAS 497063-77-1) is a chemical compound with molecular formula C12H14N6O2S4 and molecular weight 402.01 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-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Also Known As: AB00618018-04, F0544-0048, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamide
| Molecular Formula | C12H14N6O2S4 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 2.318 |
| Topological Polar Surface Area | 99.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0061 |
| Heavy Atoms | 24 |
| Complexity | 703.47516 |
Chemical Identifiers
| CAS Number | 497063-77-1 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 |
Product Overview
AB00618018-04 (CAS 497063-77-1), with molecular formula C12H14N6O2S4 and molecular weight 402.01 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00618018-04
Property Insights of AB00618018-04
The XLogP value of 2.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00618018-04. The TPSA of 99.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00618018-04. Following Lipinski's Rule of Five, AB00618018-04 has 1 hydrogen bond donor(s) and 10 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 AB00618018-04?
The CAS number of AB00618018-04 is 497063-77-1.
What is the molecular formula of AB00618018-04?
The molecular formula of AB00618018-04 is C12H14N6O2S4.
What is the molecular weight of AB00618018-04?
The molecular weight of AB00618018-04 is 402.01 g/mol.
Where can I buy AB00618018-04?
You can request a quote for AB00618018-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00618018-04?
Yes, KEHONG BIO provides custom synthesis services for AB00618018-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.