4T-0887
TL;DR: 4T-0887 (CAS 685107-26-0) is a chemical compound with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-15-phenyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
Also Known As: 4T-0887, 2,3-dimethoxy-11-phenyl-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one, 4,5-dimethoxy-15-phenyl-10,14,15-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2(7),3,5,12(16),13-pentaen-11-one, 4,5-dimethoxy-15-phenyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one, 4,5-dimethoxy-15-phenyl-10,14,15-triazatetracyclo[8.7.0.0(2),?.0(1)(2),(1)?]heptadeca-2(7),3,5,12(16),13-pentaen-11-one
| Molecular Formula | C22H21N3O3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 3.1852 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.1583 |
| Heavy Atoms | 28 |
| Complexity | 1058.389 |
Chemical Identifiers
| CAS Number | 685107-26-0 |
|---|---|
| SMILES | COC1=C(C=C2C3CC4=C(C=NN4C5=CC=CC=C5)C(=O)N3CCC2=C1)OC |
Product Overview
4T-0887 (CAS 685107-26-0), with molecular formula C22H21N3O3 and molecular weight 375.16 g/mol. IUPAC: 4,5-dimethoxy-15-phenyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.
Chemical Property Profile of 4T-0887
Property Insights of 4T-0887
The XLogP value of 3.1852 indicates that 4T-0887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 4T-0887 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4T-0887 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 4T-0887?
The CAS number of 4T-0887 is 685107-26-0.
What is the molecular formula of 4T-0887?
The molecular formula of 4T-0887 is C22H21N3O3.
What is the molecular weight of 4T-0887?
The molecular weight of 4T-0887 is 375.16 g/mol.
Where can I buy 4T-0887?
You can request a quote for 4T-0887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0887?
Yes, KEHONG BIO provides custom synthesis services for 4T-0887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.