Purealin
TL;DR: Purealin (CAS 100101-37-9) is a chemical compound with molecular formula C27H29Br4N7O7 and molecular weight 878.8862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6S)-N-[3-[4-[(2Z)-3-[2-(2-amino-1H-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: Purealin, Purealine, (6S)-N-[3-[4-[(2Z)-3-[2-(2-Amino-1H-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide, rac-(3a'R,7a'R)-2,3,3a',4',7',7a'-hexahydro-1,2'-spirobi[indene]-1',3'-dione, (5R,10S)-N-[3-[4-[(2Z)-3-[2-(2-amino-1H-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
Technical Specifications
| Molecular Formula | C27H29Br4N7O7 |
| Molecular Weight | 878.8862 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 878.8862 Da |
| Heavy Atoms | 45 |
| Complexity | 1210.0 |
| SMILES | COC1=C([C@H]([C@@]2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)C/C(=N/O)/C(=O)NCCC4=CN=C(N4)N)Br)C=C1Br)O)Br |
| InChIKey | FFJLRVBPVWKFTA-BAPZPQAKSA-N |
Product Description
Applications: Purealin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Purealin (CAS 100101-37-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Purealin is a fine chemical identified by CAS number 100101-37-9 and the molecular formula C27H29Br4N7O7 and a molecular weight of 878.89 g/mol. It is also known as Purealin and Purealine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Purealin
Property Insights of Purealin
The XLogP value of 3.3 indicates that Purealin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting Purealin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Purealin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Purealin?
The CAS number of Purealin is 100101-37-9.
What is the molecular formula of Purealin?
The molecular formula of Purealin is C27H29Br4N7O7.
What is the molecular weight of Purealin?
The molecular weight of Purealin is 878.8862 g/mol.
What are the applications of Purealin?
Purealin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Purealin (CAS 100101-37-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy Purealin?
You can request a quote for Purealin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Purealin?
Yes, CoreyChem provides custom synthesis services for Purealin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.