厄洛替尼
TL;DR: 厄洛替尼 (CAS 1029773-08-7) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
厄洛替尼
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Also Known As: Erlotinib, Tarceva, Erlotinib Base, erlotinibum, Erlotinib free base
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 1029773-08-7 |
|---|---|
| SMILES | COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC |
| InChIKey | AAKJLRGGTJKAMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
厄洛替尼 (CAS 1029773-08-7), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine.
Chemical Property Profile of 厄洛替尼
Property Insights of 厄洛替尼
The XLogP value of 3.3 indicates that 厄洛替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 厄洛替尼. Following Lipinski's Rule of Five, 厄洛替尼 has 1 hydrogen bond donor(s) and 7 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 厄洛替尼?
The CAS number of 厄洛替尼 is 1029773-08-7.
What is the molecular formula of 厄洛替尼?
The molecular formula of 厄洛替尼 is C22H23N3O4.
What is the molecular weight of 厄洛替尼?
The molecular weight of 厄洛替尼 is 393.17 g/mol.
Where can I buy 厄洛替尼?
You can request a quote for 厄洛替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 厄洛替尼?
Yes, KEHONG BIO provides custom synthesis services for 厄洛替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.