AB00684420-01
TL;DR: AB00684420-01 (CAS 497063-89-5) is a chemical compound with molecular formula C19H22N4O6S3 and molecular weight 498.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: AB00684420-01, F0544-0065, 2,4-diethyl 3-methyl-5-[2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C19H22N4O6S3 |
|---|---|
| Molecular Weight | 498.07 g/mol |
| LogP | 3.07782 |
| Topological Polar Surface Area | 126.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.07016 |
| Heavy Atoms | 32 |
| Complexity | 1003.43097 |
Chemical Identifiers
| CAS Number | 497063-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN3CCCC(=O)N=C3S2 |
Product Overview
AB00684420-01 (CAS 497063-89-5), with molecular formula C19H22N4O6S3 and molecular weight 498.07 g/mol. IUPAC: diethyl 3-methyl-5-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of AB00684420-01
Property Insights of AB00684420-01
The XLogP value of 3.07782 indicates that AB00684420-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684420-01. Following Lipinski's Rule of Five, AB00684420-01 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00684420-01?
The CAS number of AB00684420-01 is 497063-89-5.
What is the molecular formula of AB00684420-01?
The molecular formula of AB00684420-01 is C19H22N4O6S3.
What is the molecular weight of AB00684420-01?
The molecular weight of AB00684420-01 is 498.07 g/mol.
Where can I buy AB00684420-01?
You can request a quote for AB00684420-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684420-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684420-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.