臭梧桐碱
TL;DR: 臭梧桐碱 (CAS 53472-14-3) is a chemical compound with molecular formula C30H20N4O6 and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
臭梧桐碱
(5S)-2-[(5S)-5-carboxy-3-hydroxy-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid
Also Known As: Trichotomine, Trichotomin, EX-A6299, (5S)-2-[(5S)-5-carboxy-3-hydroxy-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid, (2E,5S)-2-((5S)-5-Carboxy-6,11-dihydro-3-oxo-3H-indolizino(8,7-b)indol-2(5H)-ylidene)-2,5,6,11-tetrahydro-3-oxo-3H-indolizino(8,7-b)indole-5-carboxylic acid
| Molecular Formula | C30H20N4O6 |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 532.1383 |
| Heavy Atoms | 40 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 53472-14-3 |
|---|---|
| SMILES | C1[C@H](N2C(=CC(=C2O)C3=CC4=C5C(=C6C=CC=CC6=N5)C[C@H](N4C3=O)C(=O)O)C7=C1C8=CC=CC=C8N7)C(=O)O |
| InChIKey | LGVWLGJCDLVSOA-ZEQRLZLVSA-N |
Product Overview
臭梧桐碱 (CAS 53472-14-3), with molecular formula C30H20N4O6 and molecular weight 532.14 g/mol. IUPAC: (5S)-2-[(5S)-5-carboxy-3-hydroxy-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid.
Chemical Property Profile of 臭梧桐碱
Property Insights of 臭梧桐碱
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 臭梧桐碱. The TPSA of 148.0 Ų indicates high polarity, suggesting 臭梧桐碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 臭梧桐碱 has 4 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 臭梧桐碱?
The CAS number of 臭梧桐碱 is 53472-14-3.
What is the molecular formula of 臭梧桐碱?
The molecular formula of 臭梧桐碱 is C30H20N4O6.
What is the molecular weight of 臭梧桐碱?
The molecular weight of 臭梧桐碱 is 532.14 g/mol.
Where can I buy 臭梧桐碱?
You can request a quote for 臭梧桐碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 臭梧桐碱?
Yes, KEHONG BIO provides custom synthesis services for 臭梧桐碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.