AN-329/40100068
TL;DR: AN-329/40100068 (CAS 307340-57-4) is a chemical compound with molecular formula C22H15N3O4S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
Also Known As: AN-329/40100068, A0987/0046166, 2-{4-[({6-nitro-1,3-benzodioxol-5-yl}methylene)amino]phenyl}-5-methyl-1,3-benzothiazole, 4-(5-methyl-1,3-benzothiazol-2-yl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline, N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
| Molecular Formula | C22H15N3O4S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 5.65922 |
| Topological Polar Surface Area | 86.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07834 |
| Heavy Atoms | 30 |
| Complexity | 1312.2145 |
Chemical Identifiers
| CAS Number | 307340-57-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5 |
Product Overview
AN-329/40100068 (CAS 307340-57-4), with molecular formula C22H15N3O4S and molecular weight 417.08 g/mol. IUPAC: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine.
Chemical Property Profile of AN-329/40100068
Property Insights of AN-329/40100068
The XLogP value of 5.65922 indicates that AN-329/40100068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40100068. Following Lipinski's Rule of Five, AN-329/40100068 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/40100068?
The CAS number of AN-329/40100068 is 307340-57-4.
What is the molecular formula of AN-329/40100068?
The molecular formula of AN-329/40100068 is C22H15N3O4S.
What is the molecular weight of AN-329/40100068?
The molecular weight of AN-329/40100068 is 417.08 g/mol.
Where can I buy AN-329/40100068?
You can request a quote for AN-329/40100068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40100068?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40100068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.