BAS 04085563
TL;DR: BAS 04085563 (CAS 433694-30-5) is a chemical compound with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Also Known As: BAS 04085563, AJ-292/41080036, A2910/0122659, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
| Molecular Formula | C28H29N3O3 |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | 3.9964 |
| Topological Polar Surface Area | 45.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.2209 |
| Heavy Atoms | 34 |
| Complexity | 1155.5056 |
Chemical Identifiers
| CAS Number | 433694-30-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
BAS 04085563 (CAS 433694-30-5), with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.
Chemical Property Profile of BAS 04085563
Property Insights of BAS 04085563
The XLogP value of 3.9964 indicates that BAS 04085563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.25 Ų, BAS 04085563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04085563 has 0 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 BAS 04085563?
The CAS number of BAS 04085563 is 433694-30-5.
What is the molecular formula of BAS 04085563?
The molecular formula of BAS 04085563 is C28H29N3O3.
What is the molecular weight of BAS 04085563?
The molecular weight of BAS 04085563 is 455.22 g/mol.
Where can I buy BAS 04085563?
You can request a quote for BAS 04085563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04085563?
Yes, KEHONG BIO provides custom synthesis services for BAS 04085563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.