ChemDiv1_020075
TL;DR: ChemDiv1_020075 (CAS 56929-67-0) 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.
18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one
Also Known As: ChemDiv1_020075, 2,3,4,7,8,9,10,11-Octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one, AH-262/08421006, 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one, Benzothieno[2,3-d]azepino[1,2-a]pyrimidin-13(11H)-one, 1,2,3,4,7,8,9,10-octahydro-
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 2.9 |
| 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 | 56929-67-0 |
|---|---|
| SMILES | C1CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC1 |
| InChIKey | NNKREBHGPQQYOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_020075 (CAS 56929-67-0), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one.
Chemical Property Profile of ChemDiv1_020075
Property Insights of ChemDiv1_020075
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020075. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020075. Following Lipinski's Rule of Five, ChemDiv1_020075 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_020075?
The CAS number of ChemDiv1_020075 is 56929-67-0.
What is the molecular formula of ChemDiv1_020075?
The molecular formula of ChemDiv1_020075 is C15H18N2OS.
What is the molecular weight of ChemDiv1_020075?
The molecular weight of ChemDiv1_020075 is 274.11 g/mol.
Where can I buy ChemDiv1_020075?
You can request a quote for ChemDiv1_020075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020075?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.