墨角藻糖
TL;DR: 墨角藻糖 (CAS 13074-08-3) is a chemical compound with molecular formula C6H8Br2N2O and molecular weight 281.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
墨角藻糖
4,4-dibromo-3-propyl-1H-pyrazol-5-one
Also Known As: 4,4-dibromo-3-propyl-1H-pyrazol-5-one, 4,4-dibromo-5-propyl-2,4-dihydro-3h-pyrazol-3-one, 3H-Pyrazol-3-one,4,4-dibromo-2,4-dihydro-5-propyl-, 4,4-dibromo-5-propyl-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C6H8Br2N2O |
|---|---|
| Molecular Weight | 281.90 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.90033 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 13074-08-3 |
|---|---|
| SMILES | CCCC1=NNC(=O)C1(Br)Br |
| InChIKey | SJJHSADSTRZEQH-UHFFFAOYSA-N |
Product Overview
墨角藻糖 (CAS 13074-08-3), with molecular formula C6H8Br2N2O and molecular weight 281.90 g/mol. IUPAC: 4,4-dibromo-3-propyl-1H-pyrazol-5-one.
Chemical Property Profile of 墨角藻糖
Property Insights of 墨角藻糖
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 墨角藻糖. With a topological polar surface area (TPSA) of 41.5 Ų, 墨角藻糖 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 墨角藻糖 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 墨角藻糖?
The CAS number of 墨角藻糖 is 13074-08-3.
What is the molecular formula of 墨角藻糖?
The molecular formula of 墨角藻糖 is C6H8Br2N2O.
What is the molecular weight of 墨角藻糖?
The molecular weight of 墨角藻糖 is 281.90 g/mol.
Where can I buy 墨角藻糖?
You can request a quote for 墨角藻糖 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 墨角藻糖?
Yes, KEHONG BIO provides custom synthesis services for 墨角藻糖 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.