ChemDiv1_020446
TL;DR: ChemDiv1_020446 (CAS 102254-58-0) is a chemical compound with molecular formula C16H20N2OS and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-thia-2,9-diazatetracyclo[9.8.0.03,9.012,18]nonadeca-1(11),2,12(18)-trien-10-one
Also Known As: ChemDiv1_020446, BAS 01022490, 1,2,3,4,5,8,9,10,11,12-decahydro-14H-cyclohepta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-14-one, AH-262/36795029, 2,3,4,5,9,10,11,12-octahydro-1H-cyclohepta[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-14(8H)-one
| Molecular Formula | C16H20N2OS |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.12964 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 102254-58-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N4CCCCCC4=N3 |
| InChIKey | LWBYNHFNVQXTIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_020446 (CAS 102254-58-0), with molecular formula C16H20N2OS and molecular weight 288.13 g/mol. IUPAC: 19-thia-2,9-diazatetracyclo[9.8.0.03,9.012,18]nonadeca-1(11),2,12(18)-trien-10-one.
Chemical Property Profile of ChemDiv1_020446
Property Insights of ChemDiv1_020446
The XLogP value of 3.4 indicates that ChemDiv1_020446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020446. Following Lipinski's Rule of Five, ChemDiv1_020446 has 0 hydrogen bond donor(s) and 3 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 ChemDiv1_020446?
The CAS number of ChemDiv1_020446 is 102254-58-0.
What is the molecular formula of ChemDiv1_020446?
The molecular formula of ChemDiv1_020446 is C16H20N2OS.
What is the molecular weight of ChemDiv1_020446?
The molecular weight of ChemDiv1_020446 is 288.13 g/mol.
Where can I buy ChemDiv1_020446?
You can request a quote for ChemDiv1_020446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020446?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.