BAS 00380683
TL;DR: BAS 00380683 (CAS 5563-53-1) is a chemical compound with molecular formula C28H46N4O4 and molecular weight 502.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
Also Known As: BAS 00380683, F1011-0662, 3,3'-(1,4-phenylenebis(oxy))bis(1-(4-(2-methylallyl)piperazin-1-yl)propan-2-ol), 1-[4-[2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol, 1-(4-{2-HYDROXY-3-[4-(2-METHYLPROP-2-EN-1-YL)PIPERAZIN-1-YL]PROPOXY}PHENOXY)-3-[4-(2-METHYLPROP-2-EN-1-YL)PIPERAZIN-1-YL]PROPAN-2-OL
| Molecular Formula | C28H46N4O4 |
|---|---|
| Molecular Weight | 502.35 g/mol |
| LogP | 1.5534 |
| Topological Polar Surface Area | 71.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 502.3519 |
| Heavy Atoms | 36 |
| Complexity | 735.27264 |
Chemical Identifiers
| CAS Number | 5563-53-1 |
|---|---|
| SMILES | CC(=C)CN1CCN(CC1)CC(COC2=CC=C(C=C2)OCC(CN3CCN(CC3)CC(=C)C)O)O |
Product Overview
BAS 00380683 (CAS 5563-53-1), with molecular formula C28H46N4O4 and molecular weight 502.35 g/mol. IUPAC: 1-[4-[2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol.
Chemical Property Profile of BAS 00380683
Property Insights of BAS 00380683
The XLogP value of 1.5534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00380683. The TPSA of 71.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00380683. Following Lipinski's Rule of Five, BAS 00380683 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00380683?
The CAS number of BAS 00380683 is 5563-53-1.
What is the molecular formula of BAS 00380683?
The molecular formula of BAS 00380683 is C28H46N4O4.
What is the molecular weight of BAS 00380683?
The molecular weight of BAS 00380683 is 502.35 g/mol.
Where can I buy BAS 00380683?
You can request a quote for BAS 00380683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380683?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.