AB00850641-04
TL;DR: AB00850641-04 (CAS 450346-66-4) is a chemical compound with molecular formula C17H18N4O4S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00850641-04, F0544-0036, ethyl 4-(2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]benzoate, ETHYL 4-[2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)ACETAMIDO]BENZOATE
| Molecular Formula | C17H18N4O4S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.5312 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.07693 |
| Heavy Atoms | 27 |
| Complexity | 807.6564 |
Chemical Identifiers
| CAS Number | 450346-66-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 |
Product Overview
AB00850641-04 (CAS 450346-66-4), with molecular formula C17H18N4O4S2 and molecular weight 406.08 g/mol. IUPAC: ethyl 4-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00850641-04
Property Insights of AB00850641-04
The XLogP value of 2.5312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00850641-04. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00850641-04. Following Lipinski's Rule of Five, AB00850641-04 has 1 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 AB00850641-04?
The CAS number of AB00850641-04 is 450346-66-4.
What is the molecular formula of AB00850641-04?
The molecular formula of AB00850641-04 is C17H18N4O4S2.
What is the molecular weight of AB00850641-04?
The molecular weight of AB00850641-04 is 406.08 g/mol.
Where can I buy AB00850641-04?
You can request a quote for AB00850641-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00850641-04?
Yes, KEHONG BIO provides custom synthesis services for AB00850641-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.