BAS 03058226
TL;DR: BAS 03058226 (CAS 333758-39-7) is a chemical compound with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide
Also Known As: BAS 03058226, AJ-292/40706503, 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4,4-dimethyl-6-oxo-N-phenyl-1-cyclohexene-1-carbothioamide, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
| Molecular Formula | C23H24N2O3S |
|---|---|
| Molecular Weight | 408.15 g/mol |
| LogP | 4.5876 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.15076 |
| Heavy Atoms | 29 |
| Complexity | 982.8724 |
Chemical Identifiers
| CAS Number | 333758-39-7 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)C |
Product Overview
BAS 03058226 (CAS 333758-39-7), with molecular formula C23H24N2O3S and molecular weight 408.15 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylamino)-4,4-dimethyl-6-oxo-N-phenylcyclohexene-1-carbothioamide.
Chemical Property Profile of BAS 03058226
Property Insights of BAS 03058226
The XLogP value of 4.5876 indicates that BAS 03058226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 03058226 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03058226 has 2 hydrogen bond donor(s) and 5 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 BAS 03058226?
The CAS number of BAS 03058226 is 333758-39-7.
What is the molecular formula of BAS 03058226?
The molecular formula of BAS 03058226 is C23H24N2O3S.
What is the molecular weight of BAS 03058226?
The molecular weight of BAS 03058226 is 408.15 g/mol.
Where can I buy BAS 03058226?
You can request a quote for BAS 03058226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058226?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.