AB00682261-01
TL;DR: AB00682261-01 (CAS 433954-64-4) is a chemical compound with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: AB00682261-01, N-benzyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, 2-(7-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio))-N-b enzylacetamide, N-benzyl-2-((7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-benzyl-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C20H21N3OS2 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 4.2246 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1126 |
| Heavy Atoms | 26 |
| Complexity | 923.45593 |
Chemical Identifiers
| CAS Number | 433954-64-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC=CC=C4 |
Product Overview
AB00682261-01 (CAS 433954-64-4), with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol. IUPAC: N-benzyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00682261-01
Property Insights of AB00682261-01
The XLogP value of 4.2246 indicates that AB00682261-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00682261-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00682261-01 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 AB00682261-01?
The CAS number of AB00682261-01 is 433954-64-4.
What is the molecular formula of AB00682261-01?
The molecular formula of AB00682261-01 is C20H21N3OS2.
What is the molecular weight of AB00682261-01?
The molecular weight of AB00682261-01 is 383.11 g/mol.
Where can I buy AB00682261-01?
You can request a quote for AB00682261-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682261-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682261-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.