AB01282189-01
TL;DR: AB01282189-01 (CAS 896794-29-9) is a chemical compound with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
Also Known As: AB01282189-01, 2-{[3-(3-methylbutyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide, F6609-0536, 2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide, N-(4-methylbenzyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C21H25N3O2S2 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.22102 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.13882 |
| Heavy Atoms | 28 |
| Complexity | 1006.6578 |
Chemical Identifiers
| CAS Number | 896794-29-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3 |
Product Overview
AB01282189-01 (CAS 896794-29-9), with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol. IUPAC: 2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
Chemical Property Profile of AB01282189-01
Property Insights of AB01282189-01
The XLogP value of 4.22102 indicates that AB01282189-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01282189-01. Following Lipinski's Rule of Five, AB01282189-01 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 AB01282189-01?
The CAS number of AB01282189-01 is 896794-29-9.
What is the molecular formula of AB01282189-01?
The molecular formula of AB01282189-01 is C21H25N3O2S2.
What is the molecular weight of AB01282189-01?
The molecular weight of AB01282189-01 is 415.14 g/mol.
Where can I buy AB01282189-01?
You can request a quote for AB01282189-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01282189-01?
Yes, KEHONG BIO provides custom synthesis services for AB01282189-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.