Cryolite, trilithium
TL;DR: Cryolite, trilithium (CAS 61104-49-2) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1-methylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12,2'-oxirane]
Also Known As: Cryolite, trilithium, GEL-I-195-1, NCI60_002327, Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), 2,3,4,5-tetrahydro-7-methoxy-5-methyl-, 7-Methoxy-5-methyl-2,3,4,5-tetrahydrospiro[2,5-methano-1-benzoxepine-10,2'-oxirane]
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 61104-49-2 |
|---|---|
| SMILES | CC12CCC(C13CO3)OC4=C2C=C(C=C4)OC |
| InChIKey | YARPTZLUZXARAZ-UHFFFAOYSA-N |
Product Overview
Cryolite, trilithium (CAS 61104-49-2), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 4-methoxy-1-methylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12,2'-oxirane].
Chemical Property Profile of Cryolite, trilithium
Property Insights of Cryolite, trilithium
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cryolite, trilithium. With a topological polar surface area (TPSA) of 31.0 Ų, Cryolite, trilithium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cryolite, trilithium has 0 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 Cryolite, trilithium?
The CAS number of Cryolite, trilithium is 61104-49-2.
What is the molecular formula of Cryolite, trilithium?
The molecular formula of Cryolite, trilithium is C14H16O3.
What is the molecular weight of Cryolite, trilithium?
The molecular weight of Cryolite, trilithium is 232.11 g/mol.
Where can I buy Cryolite, trilithium?
You can request a quote for Cryolite, trilithium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cryolite, trilithium?
Yes, KEHONG BIO provides custom synthesis services for Cryolite, trilithium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.