BAS 00343666
TL;DR: BAS 00343666 (CAS 180984-75-2) is a chemical compound with molecular formula C27H25NO3 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate
Also Known As: BAS 00343666, methyl 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoate, methyl 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate, 4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[a]phenanthridin-5-yl)-benzoic, methyl 4-(2,2-dimethyl-4-oxo-1,2,3,5,6-pentahydrobenzo[a]phenanthridin-5-yl)be nzoate
| Molecular Formula | C27H25NO3 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 5.9359 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.18344 |
| Heavy Atoms | 31 |
| Complexity | 1251.2167 |
Chemical Identifiers
| CAS Number | 180984-75-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)C(=O)OC)C(=O)C1)C |
Product Overview
BAS 00343666 (CAS 180984-75-2), with molecular formula C27H25NO3 and molecular weight 411.18 g/mol. IUPAC: methyl 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate.
Chemical Property Profile of BAS 00343666
Property Insights of BAS 00343666
The XLogP value of 5.9359 indicates that BAS 00343666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00343666 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00343666 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00343666?
The CAS number of BAS 00343666 is 180984-75-2.
What is the molecular formula of BAS 00343666?
The molecular formula of BAS 00343666 is C27H25NO3.
What is the molecular weight of BAS 00343666?
The molecular weight of BAS 00343666 is 411.18 g/mol.
Where can I buy BAS 00343666?
You can request a quote for BAS 00343666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00343666?
Yes, KEHONG BIO provides custom synthesis services for BAS 00343666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.