他克莫司
TL;DR: 他克莫司 (CAS 186452-09-5) is a chemical compound with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
他克莫司
3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
Also Known As: FK506, GPI 1046, 4CH-016330, 6477-EP1441224A2, 6477-EP2269651A2
| Molecular Formula | C20H28N2O4 |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.2049 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 186452-09-5 |
|---|---|
| SMILES | CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CN=CC=C2 |
| InChIKey | OQAHHWOPVDDWHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
他克莫司 (CAS 186452-09-5), with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol. IUPAC: 3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate.
Chemical Property Profile of 他克莫司
Property Insights of 他克莫司
The XLogP value of 3.1 indicates that 他克莫司 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 他克莫司. Following Lipinski's Rule of Five, 他克莫司 has 0 hydrogen bond donor(s) and 5 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 他克莫司?
The CAS number of 他克莫司 is 186452-09-5.
What is the molecular formula of 他克莫司?
The molecular formula of 他克莫司 is C20H28N2O4.
What is the molecular weight of 他克莫司?
The molecular weight of 他克莫司 is 360.20 g/mol.
Where can I buy 他克莫司?
You can request a quote for 他克莫司 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 他克莫司?
Yes, KEHONG BIO provides custom synthesis services for 他克莫司 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.