BAS 01269137
TL;DR: BAS 01269137 (CAS 330864-97-6) is a chemical compound with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 01269137, AB00101326-01, ethyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate, A2078/0087355, ETHYL 4-(3-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-2,5-DIOXOPYRROLIDIN-1-YL)BENZOATE
| Molecular Formula | C25H27N3O6 |
|---|---|
| Molecular Weight | 465.19 g/mol |
| LogP | 2.0417 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.18997 |
| Heavy Atoms | 34 |
| Complexity | 1094.3298 |
Chemical Identifiers
| CAS Number | 330864-97-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 01269137 (CAS 330864-97-6), with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol. IUPAC: ethyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of BAS 01269137
Property Insights of BAS 01269137
The XLogP value of 2.0417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01269137. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01269137. Following Lipinski's Rule of Five, BAS 01269137 has 0 hydrogen bond donor(s) and 8 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 01269137?
The CAS number of BAS 01269137 is 330864-97-6.
What is the molecular formula of BAS 01269137?
The molecular formula of BAS 01269137 is C25H27N3O6.
What is the molecular weight of BAS 01269137?
The molecular weight of BAS 01269137 is 465.19 g/mol.
Where can I buy BAS 01269137?
You can request a quote for BAS 01269137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01269137?
Yes, KEHONG BIO provides custom synthesis services for BAS 01269137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.