AB00719894-01
TL;DR: AB00719894-01 (CAS 496026-34-7) is a chemical compound with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: AB00719894-01, AF-399/41079661, N,N-Dimethyl-2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide, N,N-dimethyl-2-[(4-oxo-3-prop-2-enyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(3-allyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide
| Molecular Formula | C18H23N3O2S2 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 3.0932 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.12317 |
| Heavy Atoms | 25 |
| Complexity | 867.30884 |
Chemical Identifiers
| CAS Number | 496026-34-7 |
|---|---|
| SMILES | CN(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC=C |
Product Overview
AB00719894-01 (CAS 496026-34-7), with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol. IUPAC: N,N-dimethyl-2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00719894-01
Property Insights of AB00719894-01
The XLogP value of 3.0932 indicates that AB00719894-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AB00719894-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00719894-01 has 0 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 AB00719894-01?
The CAS number of AB00719894-01 is 496026-34-7.
What is the molecular formula of AB00719894-01?
The molecular formula of AB00719894-01 is C18H23N3O2S2.
What is the molecular weight of AB00719894-01?
The molecular weight of AB00719894-01 is 377.12 g/mol.
Where can I buy AB00719894-01?
You can request a quote for AB00719894-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00719894-01?
Yes, KEHONG BIO provides custom synthesis services for AB00719894-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.