BAS 04056412
TL;DR: BAS 04056412 (CAS 440109-75-1) is a chemical compound with molecular formula C28H29NO5 and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]propanamide
Also Known As: BAS 04056412, N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]propanamide, N-(3-(benzo[d][1,3]dioxol-5-yl)-4-phenylbutyl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)propionamide, N-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-PHENYLBUTYL]-N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PROPANAMIDE
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 5.2992 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1146.7883 |
Chemical Identifiers
| CAS Number | 440109-75-1 |
|---|---|
| SMILES | CCC(=O)N(CCC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 04056412 (CAS 440109-75-1), with molecular formula C28H29NO5 and molecular weight 459.20 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]propanamide.
Chemical Property Profile of BAS 04056412
Property Insights of BAS 04056412
The XLogP value of 5.2992 indicates that BAS 04056412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, BAS 04056412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04056412 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04056412?
The CAS number of BAS 04056412 is 440109-75-1.
What is the molecular formula of BAS 04056412?
The molecular formula of BAS 04056412 is C28H29NO5.
What is the molecular weight of BAS 04056412?
The molecular weight of BAS 04056412 is 459.20 g/mol.
Where can I buy BAS 04056412?
You can request a quote for BAS 04056412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04056412?
Yes, KEHONG BIO provides custom synthesis services for BAS 04056412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.