UPCMLD0ENAT0501-5034:001
TL;DR: UPCMLD0ENAT0501-5034:001 (CAS 255877-01-1) is a chemical compound with molecular formula C18H15Br3O4 and molecular weight 531.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromo-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)propan-1-one
Also Known As: UPCMLD0ENAT0501-5034:001, 2,3-dibromo-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)propan-1-one, 2,3-dibromo-3-(6-bromo-4H-benzo[d][1,3]dioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)propan-1-one
| Molecular Formula | C18H15Br3O4 |
|---|---|
| Molecular Weight | 531.85 g/mol |
| LogP | 5.41202 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.85205 |
| Heavy Atoms | 25 |
| Complexity | 822.20874 |
Chemical Identifiers
| CAS Number | 255877-01-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)C(C(C2=CC(=CC3=C2OCOC3)Br)Br)Br |
Product Overview
UPCMLD0ENAT0501-5034:001 (CAS 255877-01-1), with molecular formula C18H15Br3O4 and molecular weight 531.85 g/mol. IUPAC: 2,3-dibromo-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxy-5-methylphenyl)propan-1-one.
Chemical Property Profile of UPCMLD0ENAT0501-5034:001
Property Insights of UPCMLD0ENAT0501-5034:001
The XLogP value of 5.41202 indicates that UPCMLD0ENAT0501-5034:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, UPCMLD0ENAT0501-5034:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0501-5034:001 has 1 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 UPCMLD0ENAT0501-5034:001?
The CAS number of UPCMLD0ENAT0501-5034:001 is 255877-01-1.
What is the molecular formula of UPCMLD0ENAT0501-5034:001?
The molecular formula of UPCMLD0ENAT0501-5034:001 is C18H15Br3O4.
What is the molecular weight of UPCMLD0ENAT0501-5034:001?
The molecular weight of UPCMLD0ENAT0501-5034:001 is 531.85 g/mol.
Where can I buy UPCMLD0ENAT0501-5034:001?
You can request a quote for UPCMLD0ENAT0501-5034:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0501-5034:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0501-5034:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.