AF-399/42454012
TL;DR: AF-399/42454012 (CAS 7065-29-4) is a chemical compound with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: AF-399/42454012, N-[3-(dimethylamino)propyl]-N-[4-(phenylsulfonyl)-2-(2-thienyl)-1,3-oxazol-5-yl]amine, N-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine, N-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]-N',N'-dimethyl-propane-1,3-diamine, N~3~-[4-(Benzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-N~1~,N~1~-dimethylpropane-1,3-diamine
| Molecular Formula | C18H21N3O3S2 |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.5995 |
| Topological Polar Surface Area | 75.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.10245 |
| Heavy Atoms | 26 |
| Complexity | 933.48883 |
Chemical Identifiers
| CAS Number | 7065-29-4 |
|---|---|
| SMILES | CN(C)CCCNC1=C(N=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
AF-399/42454012 (CAS 7065-29-4), with molecular formula C18H21N3O3S2 and molecular weight 391.10 g/mol. IUPAC: N-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of AF-399/42454012
Property Insights of AF-399/42454012
The XLogP value of 3.5995 indicates that AF-399/42454012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42454012. Following Lipinski's Rule of Five, AF-399/42454012 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42454012?
The CAS number of AF-399/42454012 is 7065-29-4.
What is the molecular formula of AF-399/42454012?
The molecular formula of AF-399/42454012 is C18H21N3O3S2.
What is the molecular weight of AF-399/42454012?
The molecular weight of AF-399/42454012 is 391.10 g/mol.
Where can I buy AF-399/42454012?
You can request a quote for AF-399/42454012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42454012?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42454012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.