BAS 00547941
TL;DR: BAS 00547941 (CAS 349498-64-2) is a chemical compound with molecular formula C30H29BrCl2O4 and molecular weight 602.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: BAS 00547941, 9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, A1475/0065062, 9-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
| Molecular Formula | C30H29BrCl2O4 |
|---|---|
| Molecular Weight | 602.06 g/mol |
| LogP | 8.7351 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 602.0626 |
| Heavy Atoms | 37 |
| Complexity | 1333.9453 |
Chemical Identifiers
| CAS Number | 349498-64-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Br)OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C |
Product Overview
BAS 00547941 (CAS 349498-64-2), with molecular formula C30H29BrCl2O4 and molecular weight 602.06 g/mol. IUPAC: 9-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of BAS 00547941
Property Insights of BAS 00547941
The XLogP value of 8.7351 indicates that BAS 00547941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, BAS 00547941 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00547941 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00547941?
The CAS number of BAS 00547941 is 349498-64-2.
What is the molecular formula of BAS 00547941?
The molecular formula of BAS 00547941 is C30H29BrCl2O4.
What is the molecular weight of BAS 00547941?
The molecular weight of BAS 00547941 is 602.06 g/mol.
Where can I buy BAS 00547941?
You can request a quote for BAS 00547941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00547941?
Yes, KEHONG BIO provides custom synthesis services for BAS 00547941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.