β-刺桐定甲基碘化物
TL;DR: β-刺桐定甲基碘化物 (CAS 6045-43-8) is a chemical compound with molecular formula C17H22INO3 and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-刺桐定甲基碘化物
(1S,16R)-16-methoxy-10-methyl-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one iodide
Also Known As: beta-Erythroidine methiodide, 9-Methyl-beta-erythroidinium iodide, .BETA.-ERYTHROIDINE METHIODIDE, beta-ERYTHROIDINIUM, 9-METHYL-, IODIDE, .BETA.-ERYTHROIDINE METHIODIDE [MI]
| Molecular Formula | C17H22INO3 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | -1.26 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 415.06445 |
| Heavy Atoms | 22 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 6045-43-8 |
|---|---|
| SMILES | C[N+]12CCC3=C([C@@]14C[C@H](C=CC4=CC2)OC)CC(=O)OC3.[I-] |
| InChIKey | XDUBLLNDXSJBCG-DLAMFZBISA-M |
Product Overview
β-刺桐定甲基碘化物 (CAS 6045-43-8), with molecular formula C17H22INO3 and molecular weight 415.06 g/mol. IUPAC: (1S,16R)-16-methoxy-10-methyl-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one iodide.
Chemical Property Profile of β-刺桐定甲基碘化物
Property Insights of β-刺桐定甲基碘化物
The XLogP value of -1.26 indicates that β-刺桐定甲基碘化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.5 Ų, β-刺桐定甲基碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-刺桐定甲基碘化物 has 0 hydrogen bond donor(s) and 4 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 β-刺桐定甲基碘化物?
The CAS number of β-刺桐定甲基碘化物 is 6045-43-8.
What is the molecular formula of β-刺桐定甲基碘化物?
The molecular formula of β-刺桐定甲基碘化物 is C17H22INO3.
What is the molecular weight of β-刺桐定甲基碘化物?
The molecular weight of β-刺桐定甲基碘化物 is 415.06 g/mol.
Where can I buy β-刺桐定甲基碘化物?
You can request a quote for β-刺桐定甲基碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-刺桐定甲基碘化物?
Yes, KEHONG BIO provides custom synthesis services for β-刺桐定甲基碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.