BAS 00551894
TL;DR: BAS 00551894 (CAS 331750-97-1) is a chemical compound with molecular formula C27H23NO2 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3,4-dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: BAS 00551894, 17-(3,4-dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 17-(3,4-dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19 >]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione, 17-(3,4-dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C27H23NO2 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 4.87414 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.17288 |
| Heavy Atoms | 30 |
| Complexity | 1209.7228 |
Chemical Identifiers
| CAS Number | 331750-97-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C)C |
Product Overview
BAS 00551894 (CAS 331750-97-1), with molecular formula C27H23NO2 and molecular weight 393.17 g/mol. IUPAC: 17-(3,4-dimethylphenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of BAS 00551894
Property Insights of BAS 00551894
The XLogP value of 4.87414 indicates that BAS 00551894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00551894 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00551894 has 0 hydrogen bond donor(s) and 2 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 00551894?
The CAS number of BAS 00551894 is 331750-97-1.
What is the molecular formula of BAS 00551894?
The molecular formula of BAS 00551894 is C27H23NO2.
What is the molecular weight of BAS 00551894?
The molecular weight of BAS 00551894 is 393.17 g/mol.
Where can I buy BAS 00551894?
You can request a quote for BAS 00551894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00551894?
Yes, KEHONG BIO provides custom synthesis services for BAS 00551894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.