AF-399/33696029
TL;DR: AF-399/33696029 (CAS 302936-70-5) is a chemical compound with molecular formula C29H24N4OS2 and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-(4-methylphenyl)benzenecarboximidamide
Also Known As: AF-399/33696029, N-[(5Z)-4-(4-methoxyphenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-N'-(4-methylphenyl)benzenecarboximidamide, (1Z,NZ)-N-(4-(4-methoxyphenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-N'-(p-tolyl)benzimidamide, (Z)-N-[(5Z)-4-(4-METHOXYPHENYL)-2-PHENYL-3-SULFANYLIDENE-1,2,4-THIADIAZOLIDIN-5-YLIDENE]-N'-(4-METHYLPHENYL)BENZENECARBOXIMIDAMIDE, N-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-(4-methylphenyl)benzenecarboximidamide
| Molecular Formula | C29H24N4OS2 |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | 7.05521 |
| Topological Polar Surface Area | 43.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.13916 |
| Heavy Atoms | 36 |
| Complexity | 1613.7765 |
Chemical Identifiers
| CAS Number | 302936-70-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N=C3N(C(=S)N(S3)C4=CC=CC=C4)C5=CC=C(C=C5)OC |
Product Overview
AF-399/33696029 (CAS 302936-70-5), with molecular formula C29H24N4OS2 and molecular weight 508.14 g/mol. IUPAC: N-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-(4-methylphenyl)benzenecarboximidamide.
Chemical Property Profile of AF-399/33696029
Property Insights of AF-399/33696029
The XLogP value of 7.05521 indicates that AF-399/33696029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.81 Ų, AF-399/33696029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/33696029 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/33696029?
The CAS number of AF-399/33696029 is 302936-70-5.
What is the molecular formula of AF-399/33696029?
The molecular formula of AF-399/33696029 is C29H24N4OS2.
What is the molecular weight of AF-399/33696029?
The molecular weight of AF-399/33696029 is 508.14 g/mol.
Where can I buy AF-399/33696029?
You can request a quote for AF-399/33696029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/33696029?
Yes, KEHONG BIO provides custom synthesis services for AF-399/33696029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.