BAS 00700788
TL;DR: BAS 00700788 (CAS 331964-89-7) is a chemical compound with molecular formula C22H20N4 and molecular weight 340.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(16,16-dimethyl-12,13,15-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13-heptaen-14-yl)aniline
Also Known As: BAS 00700788, 3-(11,11-dimethyl-10,11-dihydrobenzo[f][1,2,4]triazolo[3,4-a]isoquinolin-1-yl)aniline, 3-{16,16-dimethyl-12,13,15-triazatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,3,5,7,9,11,13-heptaen-14-yl}aniline
| Molecular Formula | C22H20N4 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 4.6387 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.1688 |
| Heavy Atoms | 26 |
| Complexity | 1153.9911 |
Chemical Identifiers
| CAS Number | 331964-89-7 |
|---|---|
| SMILES | CC1(CC2=C(C=CC3=CC=CC=C23)C4=NN=C(N41)C5=CC(=CC=C5)N)C |
Product Overview
BAS 00700788 (CAS 331964-89-7), with molecular formula C22H20N4 and molecular weight 340.17 g/mol. IUPAC: 3-(16,16-dimethyl-12,13,15-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13-heptaen-14-yl)aniline.
Chemical Property Profile of BAS 00700788
Property Insights of BAS 00700788
The XLogP value of 4.6387 indicates that BAS 00700788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, BAS 00700788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00700788 has 1 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 BAS 00700788?
The CAS number of BAS 00700788 is 331964-89-7.
What is the molecular formula of BAS 00700788?
The molecular formula of BAS 00700788 is C22H20N4.
What is the molecular weight of BAS 00700788?
The molecular weight of BAS 00700788 is 340.17 g/mol.
Where can I buy BAS 00700788?
You can request a quote for BAS 00700788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700788?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.