BAS 00830794
TL;DR: BAS 00830794 (CAS 311331-62-1) 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-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate
Also Known As: BAS 00830794, BIM-0020707.P001, methyl 4-(3,3-dimethyl-1-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoate, A1155/0054043, methyl 4-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate
| 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 | 311331-62-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(C=C5)C(=O)OC)C |
Product Overview
BAS 00830794 (CAS 311331-62-1), with molecular formula C27H25NO3 and molecular weight 411.18 g/mol. IUPAC: methyl 4-(3,3-dimethyl-1-oxo-2,4,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)benzoate.
Chemical Property Profile of BAS 00830794
Property Insights of BAS 00830794
The XLogP value of 5.9359 indicates that BAS 00830794 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 00830794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00830794 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 00830794?
The CAS number of BAS 00830794 is 311331-62-1.
What is the molecular formula of BAS 00830794?
The molecular formula of BAS 00830794 is C27H25NO3.
What is the molecular weight of BAS 00830794?
The molecular weight of BAS 00830794 is 411.18 g/mol.
Where can I buy BAS 00830794?
You can request a quote for BAS 00830794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00830794?
Yes, KEHONG BIO provides custom synthesis services for BAS 00830794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.