10X-0111
TL;DR: 10X-0111 (CAS 860644-72-0) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyphenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile
Also Known As: 10X-0111, 3-(2,5-dimethoxyphenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),4-diene-4-carbonitrile, 3-(2,5-dimethoxyphenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile, 3-(2,5-dimethoxyphenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile, 3-(2,5-DIMETHOXYPHENYL)-5-METHYL-1,6-DIAZATRICYCLO[6.2.2.0(2,7)]DODECA-2(7),4-DIENE-4-CARBONITRILE
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 3.12538 |
| Topological Polar Surface Area | 57.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 810.72046 |
Chemical Identifiers
| CAS Number | 860644-72-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)C3CCN2CC3)C4=C(C=CC(=C4)OC)OC)C#N |
Product Overview
10X-0111 (CAS 860644-72-0), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 3-(2,5-dimethoxyphenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile.
Chemical Property Profile of 10X-0111
Property Insights of 10X-0111
The XLogP value of 3.12538 indicates that 10X-0111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.52 Ų, 10X-0111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10X-0111 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 10X-0111?
The CAS number of 10X-0111 is 860644-72-0.
What is the molecular formula of 10X-0111?
The molecular formula of 10X-0111 is C20H23N3O2.
What is the molecular weight of 10X-0111?
The molecular weight of 10X-0111 is 337.18 g/mol.
Where can I buy 10X-0111?
You can request a quote for 10X-0111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10X-0111?
Yes, KEHONG BIO provides custom synthesis services for 10X-0111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.