反式-克瓦酰胺
TL;DR: 反式-克瓦酰胺 (CAS 53755-02-5) is a chemical compound with molecular formula C18H17NO7 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
反式-克瓦酰胺
(2S)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]propanoic acid
Also Known As: trans-Clovamide, N-trans-Caffeoy-L-dopa, N-(E)-Caffeoyl-L-dihydroxyphenylalanine, N-trans-Caffeoyl-3,4-dihydroxy-L-phenylalanine, N-[3?-,4?--Dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine
| Molecular Formula | C18H17NO7 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.1005 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 53755-02-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| InChIKey | GPZFXSWMDFBRGS-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
反式-克瓦酰胺 (CAS 53755-02-5), with molecular formula C18H17NO7 and molecular weight 359.10 g/mol. IUPAC: (2S)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]propanoic acid.
Chemical Property Profile of 反式-克瓦酰胺
Property Insights of 反式-克瓦酰胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 反式-克瓦酰胺. The TPSA of 147.0 Ų indicates high polarity, suggesting 反式-克瓦酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 反式-克瓦酰胺 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 反式-克瓦酰胺?
The CAS number of 反式-克瓦酰胺 is 53755-02-5.
What is the molecular formula of 反式-克瓦酰胺?
The molecular formula of 反式-克瓦酰胺 is C18H17NO7.
What is the molecular weight of 反式-克瓦酰胺?
The molecular weight of 反式-克瓦酰胺 is 359.10 g/mol.
Where can I buy 反式-克瓦酰胺?
You can request a quote for 反式-克瓦酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 反式-克瓦酰胺?
Yes, KEHONG BIO provides custom synthesis services for 反式-克瓦酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.