帕博西尼
TL;DR: 帕博西尼 (CAS 827022-33-3) is a chemical compound with molecular formula C42H49N6NiO13 and molecular weight 903.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
帕博西尼
3-[5-(2-amino-2-oxoethyl)-4,22-bis(2-carboxyethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-26,30-diaza-9,27,28-triazanidaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.010,15]triaconta-6(30),8(29),10,15,19-pentaen-17-yl]propanoic acid;nickel(3+)
Also Known As: Palbociclib, Ethanesulfonic acid, 2-hydroxy-, compd. with 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one (1:1), F43
| Molecular Formula | C42H49N6NiO13 |
|---|---|
| Molecular Weight | 903.27 g/mol |
| LogP | 2.93 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 903.2711 |
| Heavy Atoms | 62 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 827022-33-3 |
|---|---|
| SMILES | CC12CC(=O)NC13CC4C(C(C(=N4)CC5=C(C6=C([N-]5)C(=C7C(C(C(=CC(C2CCC(=O)O)[N-]3)[N-]7)CC(=O)O)CCC(=O)O)C(=O)CC6)CC(=O)O)(C)CC(=O)N)CCC(=O)O.[Ni+3] |
| InChIKey | GYTCYCYCZFADOK-UHFFFAOYSA-M |
Product Overview
帕博西尼 (CAS 827022-33-3), with molecular formula C42H49N6NiO13 and molecular weight 903.27 g/mol. IUPAC: 3-[5-(2-amino-2-oxoethyl)-4,22-bis(2-carboxyethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-26,30-diaza-9,27,28-triazanidaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.010,15]triaconta-6(30),8(29),10,15,19-pentaen-17-yl]propanoic acid;nickel(3+).
Chemical Property Profile of 帕博西尼
Property Insights of 帕博西尼
The XLogP value of 2.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 帕博西尼. The TPSA of 291.0 Ų indicates high polarity, suggesting 帕博西尼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Palbociclib has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Palbociclib?
The CAS number of Palbociclib is 827022-33-3.
What is the molecular formula of Palbociclib?
The molecular formula of Palbociclib is C42H49N6NiO13.
What is the molecular weight of Palbociclib?
The molecular weight of Palbociclib is 903.27 g/mol.
Where can I buy Palbociclib?
You can request a quote for Palbociclib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palbociclib?
Yes, KEHONG BIO provides custom synthesis services for Palbociclib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.