BAS 00518463
TL;DR: BAS 00518463 (CAS 321945-36-2) is a chemical compound with molecular formula C29H42Br4N2O4 and molecular weight 797.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-3-(diethylamino)propan-2-ol
Also Known As: BAS 00518463, F0191-0482, 1-[2,6-DIBROMO-4-(2-{3,5-DIBROMO-4-[3-(DIETHYLAMINO)-2-HYDROXYPROPOXY]PHENYL}PROPAN-2-YL)PHENOXY]-3-(DIETHYLAMINO)PROPAN-2-OL, 3,3'-((propane-2,2-diylbis(2,6-dibromo-4,1-phenylene))bis(oxy))bis(1-(diethylamino)propan-2-ol), 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-3-(diethylamino)propan-2-ol
| Molecular Formula | C29H42Br4N2O4 |
|---|---|
| Molecular Weight | 797.99 g/mol |
| LogP | 7.2255 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 797.9878 |
| Heavy Atoms | 39 |
| Complexity | 934.0684 |
Chemical Identifiers
| CAS Number | 321945-36-2 |
|---|---|
| SMILES | CCN(CC)CC(COC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)OCC(CN(CC)CC)O)Br)Br)O |
Product Overview
BAS 00518463 (CAS 321945-36-2), with molecular formula C29H42Br4N2O4 and molecular weight 797.99 g/mol. IUPAC: 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-3-(diethylamino)propan-2-ol.
Chemical Property Profile of BAS 00518463
Property Insights of BAS 00518463
The XLogP value of 7.2255 indicates that BAS 00518463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00518463. Following Lipinski's Rule of Five, BAS 00518463 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00518463?
The CAS number of BAS 00518463 is 321945-36-2.
What is the molecular formula of BAS 00518463?
The molecular formula of BAS 00518463 is C29H42Br4N2O4.
What is the molecular weight of BAS 00518463?
The molecular weight of BAS 00518463 is 797.99 g/mol.
Where can I buy BAS 00518463?
You can request a quote for BAS 00518463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00518463?
Yes, KEHONG BIO provides custom synthesis services for BAS 00518463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.