头花胺
TL;DR: 头花胺 (CAS 14140-18-2) is a chemical compound with molecular formula C15H27NO4 and molecular weight 285.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头花胺
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Also Known As: Trachelanthamine, Trachelanthamin, Glyfoline, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1-alpha(2S*,3R*),7a-alpha))-, (2S,3R)-((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
| Molecular Formula | C15H27NO4 |
|---|---|
| Molecular Weight | 285.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.194 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 14140-18-2 |
|---|---|
| SMILES | CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CCN2[C@H]1CCC2)O |
| InChIKey | BWQSLRZZOVFVHJ-VYHDIPPYSA-N |
Product Overview
头花胺 (CAS 14140-18-2), with molecular formula C15H27NO4 and molecular weight 285.19 g/mol. IUPAC: [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate.
Chemical Property Profile of 头花胺
Property Insights of 头花胺
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头花胺. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 头花胺. Following Lipinski's Rule of Five, 头花胺 has 2 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 头花胺?
The CAS number of 头花胺 is 14140-18-2.
What is the molecular formula of 头花胺?
The molecular formula of 头花胺 is C15H27NO4.
What is the molecular weight of 头花胺?
The molecular weight of 头花胺 is 285.19 g/mol.
Where can I buy 头花胺?
You can request a quote for 头花胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头花胺?
Yes, KEHONG BIO provides custom synthesis services for 头花胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.