AF-399/15128506
TL;DR: AF-399/15128506 (CAS 315692-01-4) is a chemical compound with molecular formula C26H22N4O5S2 and molecular weight 534.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate
Also Known As: AF-399/15128506, F0863-0438, 1,3-dimethyl 5-[2,5-dimethyl-3-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate, dimethyl 5-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate, dimethyl 5-(3-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate
| Molecular Formula | C26H22N4O5S2 |
|---|---|
| Molecular Weight | 534.10 g/mol |
| LogP | 4.89974 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.10315 |
| Heavy Atoms | 37 |
| Complexity | 1663.8517 |
Chemical Identifiers
| CAS Number | 315692-01-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
AF-399/15128506 (CAS 315692-01-4), with molecular formula C26H22N4O5S2 and molecular weight 534.10 g/mol. IUPAC: dimethyl 5-[2,5-dimethyl-3-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of AF-399/15128506
Property Insights of AF-399/15128506
The XLogP value of 4.89974 indicates that AF-399/15128506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128506. Following Lipinski's Rule of Five, AF-399/15128506 has 0 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-399/15128506?
The CAS number of AF-399/15128506 is 315692-01-4.
What is the molecular formula of AF-399/15128506?
The molecular formula of AF-399/15128506 is C26H22N4O5S2.
What is the molecular weight of AF-399/15128506?
The molecular weight of AF-399/15128506 is 534.10 g/mol.
Where can I buy AF-399/15128506?
You can request a quote for AF-399/15128506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128506?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.