AF-399/15128509
TL;DR: AF-399/15128509 (CAS 315692-04-7) is a chemical compound with molecular formula C27H25N3O5S2 and molecular weight 535.12 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-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate
Also Known As: AF-399/15128509, F0863-0441, 1,3-dimethyl 5-[2,5-dimethyl-3-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetyl)-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate, dimethyl 5-(3-(2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate, Dimethyl 5-[2,5-dimethyl-3-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate
| Molecular Formula | C27H25N3O5S2 |
|---|---|
| Molecular Weight | 535.12 g/mol |
| LogP | 5.13574 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.12354 |
| Heavy Atoms | 37 |
| Complexity | 1535.7592 |
Chemical Identifiers
| CAS Number | 315692-04-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
AF-399/15128509 (CAS 315692-04-7), with molecular formula C27H25N3O5S2 and molecular weight 535.12 g/mol. IUPAC: dimethyl 5-[2,5-dimethyl-3-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of AF-399/15128509
Property Insights of AF-399/15128509
The XLogP value of 5.13574 indicates that AF-399/15128509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128509. Following Lipinski's Rule of Five, AF-399/15128509 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-399/15128509?
The CAS number of AF-399/15128509 is 315692-04-7.
What is the molecular formula of AF-399/15128509?
The molecular formula of AF-399/15128509 is C27H25N3O5S2.
What is the molecular weight of AF-399/15128509?
The molecular weight of AF-399/15128509 is 535.12 g/mol.
Where can I buy AF-399/15128509?
You can request a quote for AF-399/15128509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128509?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.