AB01284149-01
TL;DR: AB01284149-01 (CAS 869346-42-9) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
Also Known As: AB01284149-01, F1872-0639, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[1-(4-methylbenzyl)-1H-imidazol-2-yl]thio}acetamide
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.37702 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 969.2821 |
Chemical Identifiers
| CAS Number | 869346-42-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
AB01284149-01 (CAS 869346-42-9), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
Chemical Property Profile of AB01284149-01
Property Insights of AB01284149-01
The XLogP value of 3.37702 indicates that AB01284149-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01284149-01. Following Lipinski's Rule of Five, AB01284149-01 has 1 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 AB01284149-01?
The CAS number of AB01284149-01 is 869346-42-9.
What is the molecular formula of AB01284149-01?
The molecular formula of AB01284149-01 is C21H21N3O3S.
What is the molecular weight of AB01284149-01?
The molecular weight of AB01284149-01 is 395.13 g/mol.
Where can I buy AB01284149-01?
You can request a quote for AB01284149-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01284149-01?
Yes, KEHONG BIO provides custom synthesis services for AB01284149-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.