磷酸卢卡帕利
TL;DR: 磷酸卢卡帕利 (CAS 459869-25-1) is a chemical compound with molecular formula C19H21FN3O5P and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸卢卡帕利
6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;phosphoric acid
Also Known As: Rucaparib phosphate, RUCAPARIB, Rucaparib (phosphate), Rucaparib (free base), Rucaparib phosphate [USAN]
| Molecular Formula | C19H21FN3O5P |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 2.0507 |
| Topological Polar Surface Area | 134.68 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.1203 |
| Heavy Atoms | 29 |
| Complexity | 1083.1482 |
Chemical Identifiers
| CAS Number | 459869-25-1 |
|---|---|
| SMILES | CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2.OP(=O)(O)O |
Product Overview
磷酸卢卡帕利 (CAS 459869-25-1), with molecular formula C19H21FN3O5P and molecular weight 421.12 g/mol. IUPAC: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;phosphoric acid.
Chemical Property Profile of 磷酸卢卡帕利
Property Insights of 磷酸卢卡帕利
The XLogP value of 2.0507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸卢卡帕利. The TPSA of 134.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸卢卡帕利. Following Lipinski's Rule of Five, 磷酸卢卡帕利 has 6 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸卢卡帕利?
The CAS number of 磷酸卢卡帕利 is 459869-25-1.
What is the molecular formula of 磷酸卢卡帕利?
The molecular formula of 磷酸卢卡帕利 is C19H21FN3O5P.
What is the molecular weight of 磷酸卢卡帕利?
The molecular weight of 磷酸卢卡帕利 is 421.12 g/mol.
Where can I buy 磷酸卢卡帕利?
You can request a quote for 磷酸卢卡帕利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸卢卡帕利?
Yes, KEHONG BIO provides custom synthesis services for 磷酸卢卡帕利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.