丝缨花碱
TL;DR: 丝缨花碱 (CAS 561-51-3) is a chemical compound with molecular formula C22H33NO2 and molecular weight 343.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丝缨花碱
(1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol
Also Known As: Garryine, Garryine [MI], ISOGARRYFOLINE, (1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol, (3R,5S,5aR,7aR,8R,8aR,13aS,13bS)-8-Methyl-4-methylenedodecahydro-6H,13H-3,5a-methano-8,13a-propanocyclohepta(H)oxazolo(3,2-b)isoquinolin-5-ol
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 561-51-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@@H](C4)C(=C)[C@@H]5O)CN6C2OCC6 |
| InChIKey | IVNWJNHFVISYHC-ASBMQCJXSA-N |
Product Overview
丝缨花碱 (CAS 561-51-3), with molecular formula C22H33NO2 and molecular weight 343.25 g/mol. IUPAC: (1R,2S,5S,7S,8R,11S,12R)-12-methyl-6-methylidene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol.
Chemical Property Profile of 丝缨花碱
Property Insights of 丝缨花碱
The XLogP value of 3.6 indicates that 丝缨花碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 丝缨花碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丝缨花碱 has 1 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 丝缨花碱?
The CAS number of 丝缨花碱 is 561-51-3.
What is the molecular formula of 丝缨花碱?
The molecular formula of 丝缨花碱 is C22H33NO2.
What is the molecular weight of 丝缨花碱?
The molecular weight of 丝缨花碱 is 343.25 g/mol.
Where can I buy 丝缨花碱?
You can request a quote for 丝缨花碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丝缨花碱?
Yes, KEHONG BIO provides custom synthesis services for 丝缨花碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.