ChemDiv1_021858
TL;DR: ChemDiv1_021858 (CAS 102254-57-9) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thia-11,17-diazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),2(8),11-trien-18-one
Also Known As: ChemDiv1_021858, AB00093187-01, 2,3,4,7,8,9,10,11-octahydro-1H,12H-cyclohepta[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one, 7,8,9,10,11,13-hexahydrocyclohepta[2,1-d]piperidino[1',2'-1,2]pyrimidino[4,5-b ]thiophen-12-one, 1,2,3,4,8,9,10,11-octahydrocyclohepta[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidin-12(7H)-one
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 102254-57-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N4CCCCC4=N3 |
| InChIKey | ZRAIQNKBKDBEFS-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021858 (CAS 102254-57-9), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 9-thia-11,17-diazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),2(8),11-trien-18-one.
Chemical Property Profile of ChemDiv1_021858
Property Insights of ChemDiv1_021858
The XLogP value of 3.1 indicates that ChemDiv1_021858 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_021858. Following Lipinski's Rule of Five, ChemDiv1_021858 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_021858?
The CAS number of ChemDiv1_021858 is 102254-57-9.
What is the molecular formula of ChemDiv1_021858?
The molecular formula of ChemDiv1_021858 is C15H18N2OS.
What is the molecular weight of ChemDiv1_021858?
The molecular weight of ChemDiv1_021858 is 274.11 g/mol.
Where can I buy ChemDiv1_021858?
You can request a quote for ChemDiv1_021858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021858?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.