BAS 00867553
TL;DR: BAS 00867553 (CAS 355403-45-1) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
Also Known As: BAS 00867553, A1844/0077559, 3-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione, 3-[(1,3-benzodioxol-5-ylmethyl)amino]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione, 3-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(3,4-dimethoxyphenethyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 355403-45-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NCC3=CC4=C(C=C3)OCO4)OC |
| InChIKey | RABXTWXYUCXXKL-UHFFFAOYSA-N |
Product Overview
BAS 00867553 (CAS 355403-45-1), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 00867553
Property Insights of BAS 00867553
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00867553. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867553. Following Lipinski's Rule of Five, BAS 00867553 has 1 hydrogen bond donor(s) and 7 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 00867553?
The CAS number of BAS 00867553 is 355403-45-1.
What is the molecular formula of BAS 00867553?
The molecular formula of BAS 00867553 is C22H24N2O6.
What is the molecular weight of BAS 00867553?
The molecular weight of BAS 00867553 is 412.16 g/mol.
Where can I buy BAS 00867553?
You can request a quote for BAS 00867553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867553?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.