ChemDiv1_023067
TL;DR: ChemDiv1_023067 (CAS 389084-15-5) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
Also Known As: ChemDiv1_023067, AH-262/34641018, 2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one, 2-(4-Methoxy-phenyl)-6,7,8,9-tetrahydro-5H-1-thia-4,9a-diaza-cyclohepta[f]inden-10-one, 2-(4-methoxyphenyl)-10-hydro-5H,6H,7H,8H,9H-azaperhydroepino[1,2-a]thiopheno[3 ,2-d]pyrimidin-11-one
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 909.15656 |
Chemical Identifiers
| CAS Number | 389084-15-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N4CCCCCC4=N3 |
Product Overview
ChemDiv1_023067 (CAS 389084-15-5), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one.
Chemical Property Profile of ChemDiv1_023067
Property Insights of ChemDiv1_023067
The XLogP value of 3.86 indicates that ChemDiv1_023067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_023067 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023067 has 0 hydrogen bond donor(s) and 4 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_023067?
The CAS number of ChemDiv1_023067 is 389084-15-5.
What is the molecular formula of ChemDiv1_023067?
The molecular formula of ChemDiv1_023067 is C18H18N2O2S.
What is the molecular weight of ChemDiv1_023067?
The molecular weight of ChemDiv1_023067 is 326.11 g/mol.
Where can I buy ChemDiv1_023067?
You can request a quote for ChemDiv1_023067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023067?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.