来那替尼
TL;DR: 来那替尼 (CAS 876310-02-0) is a chemical compound with molecular formula C30H29ClN6O3 and molecular weight 556.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
来那替尼
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Also Known As: Neratinib, Nerlynx, Neratinib (HKI-272), neratinibum, Neratinib maleate
| Molecular Formula | C30H29ClN6O3 |
|---|---|
| Molecular Weight | 556.20 g/mol |
| LogP | 5.93248 |
| Topological Polar Surface Area | 112.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.199 |
| Heavy Atoms | 40 |
| Complexity | 1567.7562 |
Chemical Identifiers
| CAS Number | 876310-02-0 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C |
Product Overview
来那替尼 (CAS 876310-02-0), with molecular formula C30H29ClN6O3 and molecular weight 556.20 g/mol. IUPAC: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide.
Chemical Property Profile of 来那替尼
Property Insights of 来那替尼
The XLogP value of 5.93248 indicates that 来那替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 来那替尼. Following Lipinski's Rule of Five, 来那替尼 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 来那替尼?
The CAS number of 来那替尼 is 876310-02-0.
What is the molecular formula of 来那替尼?
The molecular formula of 来那替尼 is C30H29ClN6O3.
What is the molecular weight of 来那替尼?
The molecular weight of 来那替尼 is 556.20 g/mol.
Where can I buy 来那替尼?
You can request a quote for 来那替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 来那替尼?
Yes, KEHONG BIO provides custom synthesis services for 来那替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.