AF-399/14944026
TL;DR: AF-399/14944026 (CAS 327974-76-5) is a chemical compound with molecular formula C24H22N4O4S3 and molecular weight 526.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
Also Known As: AF-399/14944026, ethyl 2-{2-[2-(4-oxo-3-phenyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4, 5-b]thiophen-2-ylthio)acetylamino]-1,3-thiazol-4-yl}acetate, ethyl [(2Z)-2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate, ethyl [2-({[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-thiazol-4-yl]acetate, ethyl 2-(2-(2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiazol-4-yl)acetate
| Molecular Formula | C24H22N4O4S3 |
|---|---|
| Molecular Weight | 526.08 g/mol |
| LogP | 4.2288 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.0803 |
| Heavy Atoms | 35 |
| Complexity | 1458.9557 |
Chemical Identifiers
| CAS Number | 327974-76-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AF-399/14944026 (CAS 327974-76-5), with molecular formula C24H22N4O4S3 and molecular weight 526.08 g/mol. IUPAC: ethyl 2-[2-[[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of AF-399/14944026
Property Insights of AF-399/14944026
The XLogP value of 4.2288 indicates that AF-399/14944026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/14944026. Following Lipinski's Rule of Five, AF-399/14944026 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/14944026?
The CAS number of AF-399/14944026 is 327974-76-5.
What is the molecular formula of AF-399/14944026?
The molecular formula of AF-399/14944026 is C24H22N4O4S3.
What is the molecular weight of AF-399/14944026?
The molecular weight of AF-399/14944026 is 526.08 g/mol.
Where can I buy AF-399/14944026?
You can request a quote for AF-399/14944026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14944026?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14944026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.