C25H22BrNO6
TL;DR: C25H22BrNO6 (CAS 956705-30-9) is a chemical compound with molecular formula C25H22BrNO6 and molecular weight 511.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-methylbutanoic acid
Also Known As: EiM07-29213, (2S)-2-[[2-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-methylbutanoic acid, (S)-2-(2-(3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-methylbutanoic acid
| Molecular Formula | C25H22BrNO6 |
|---|---|
| Molecular Weight | 511.06 g/mol |
| LogP | 5.04502 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.06305 |
| Heavy Atoms | 33 |
| Complexity | 1431.5795 |
Chemical Identifiers
| CAS Number | 956705-30-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Br)CC(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
C25H22BrNO6 (CAS 956705-30-9), with molecular formula C25H22BrNO6 and molecular weight 511.06 g/mol. IUPAC: (2S)-2-[[2-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of C25H22BrNO6
Property Insights of C25H22BrNO6
The XLogP value of 5.04502 indicates that C25H22BrNO6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H22BrNO6. Following Lipinski's Rule of Five, C25H22BrNO6 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H22BrNO6?
The CAS number of C25H22BrNO6 is 956705-30-9.
What is the molecular formula of C25H22BrNO6?
The molecular formula of C25H22BrNO6 is C25H22BrNO6.
What is the molecular weight of C25H22BrNO6?
The molecular weight of C25H22BrNO6 is 511.06 g/mol.
Where can I buy C25H22BrNO6?
You can request a quote for C25H22BrNO6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H22BrNO6?
Yes, KEHONG BIO provides custom synthesis services for C25H22BrNO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.