RefChem:436945
TL;DR: RefChem:436945 (CAS 731797-75-4) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(3,4-dimethoxyphenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-[(3,4-Dimethoxyphenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one, 2-(3,4-dimethoxybenzyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 10-[(3,4-dimethoxyphenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 10-((3,4-Dimethoxyphenyl)methyl)-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(8),2(6),9-trien-12-one, 10-[(3,4-DIMETHOXYPHENYL)METHYL]-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2),?]DODECA-1(8),2(6),10-TRIEN-12-ONE
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.0813 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 974.28973 |
Chemical Identifiers
| CAS Number | 731797-75-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)OC |
Product Overview
RefChem:436945 (CAS 731797-75-4), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 10-[(3,4-dimethoxyphenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of RefChem:436945
Property Insights of RefChem:436945
The XLogP value of 3.0813 indicates that RefChem:436945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:436945. Following Lipinski's Rule of Five, RefChem:436945 has 1 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 RefChem:436945?
The CAS number of RefChem:436945 is 731797-75-4.
What is the molecular formula of RefChem:436945?
The molecular formula of RefChem:436945 is C18H18N2O3S.
What is the molecular weight of RefChem:436945?
The molecular weight of RefChem:436945 is 342.10 g/mol.
Where can I buy RefChem:436945?
You can request a quote for RefChem:436945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.