佐米曲普坦
TL;DR: 佐米曲普坦 (CAS 139264-17-8) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
佐米曲普坦
4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Also Known As: zolmitriptan, Zomig, zolmitriptane, Zomitriptan, Rapimelt
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 139264-17-8 |
|---|---|
| SMILES | CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3 |
| InChIKey | ULSDMUVEXKOYBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
佐米曲普坦 (CAS 139264-17-8), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
Chemical Property Profile of 佐米曲普坦
Property Insights of 佐米曲普坦
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 佐米曲普坦. With a topological polar surface area (TPSA) of 57.4 Ų, 佐米曲普坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 佐米曲普坦 has 2 hydrogen bond donor(s) and 3 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 佐米曲普坦?
The CAS number of 佐米曲普坦 is 139264-17-8.
What is the molecular formula of 佐米曲普坦?
The molecular formula of 佐米曲普坦 is C16H21N3O2.
What is the molecular weight of 佐米曲普坦?
The molecular weight of 佐米曲普坦 is 287.16 g/mol.
Where can I buy 佐米曲普坦?
You can request a quote for 佐米曲普坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 佐米曲普坦?
Yes, KEHONG BIO provides custom synthesis services for 佐米曲普坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.