维胺酸
TL;DR: 维胺酸 (CAS 53839-71-7) is a chemical compound with molecular formula C29H37NO3 and molecular weight 447.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维胺酸
ethyl 4-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
Also Known As: viaminate, (Z)-VIAMINATE, Ethyl 4-((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamido)benzoate, Ethyl 4-(3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamido)benzoate, ethyl 4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
| Molecular Formula | C29H37NO3 |
|---|---|
| Molecular Weight | 447.28 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.27734 |
| Heavy Atoms | 33 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 53839-71-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C |
| InChIKey | VRSMJNVXOITYPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
维胺酸 (CAS 53839-71-7), with molecular formula C29H37NO3 and molecular weight 447.28 g/mol. IUPAC: ethyl 4-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate.
Chemical Property Profile of 维胺酸
Property Insights of 维胺酸
The XLogP value of 7.8 indicates that 维胺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 维胺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 维胺酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 维胺酸?
The CAS number of 维胺酸 is 53839-71-7.
What is the molecular formula of 维胺酸?
The molecular formula of 维胺酸 is C29H37NO3.
What is the molecular weight of 维胺酸?
The molecular weight of 维胺酸 is 447.28 g/mol.
Where can I buy 维胺酸?
You can request a quote for 维胺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维胺酸?
Yes, KEHONG BIO provides custom synthesis services for 维胺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.