AB01305664-01
TL;DR: AB01305664-01 (CAS 841208-81-9) is a chemical compound with molecular formula C22H23ClN4O3S and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(6-ethyl-13,13-dimethyl-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide
Also Known As: AB01305664-01, N-(4-chlorophenyl)-2-((3-ethyl-8,8-dimethyl-4-oxo-4,6,8,9-tetrahydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(4-chlorophenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H23ClN4O3S |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 4.0469 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.11795 |
| Heavy Atoms | 31 |
| Complexity | 1208.0869 |
Chemical Identifiers
| CAS Number | 841208-81-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
AB01305664-01 (CAS 841208-81-9), with molecular formula C22H23ClN4O3S and molecular weight 458.12 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(6-ethyl-13,13-dimethyl-7-oxo-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of AB01305664-01
Property Insights of AB01305664-01
The XLogP value of 4.0469 indicates that AB01305664-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305664-01. Following Lipinski's Rule of Five, AB01305664-01 has 1 hydrogen bond donor(s) and 6 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 AB01305664-01?
The CAS number of AB01305664-01 is 841208-81-9.
What is the molecular formula of AB01305664-01?
The molecular formula of AB01305664-01 is C22H23ClN4O3S.
What is the molecular weight of AB01305664-01?
The molecular weight of AB01305664-01 is 458.12 g/mol.
Where can I buy AB01305664-01?
You can request a quote for AB01305664-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305664-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305664-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.