Arthrichitin
TL;DR: Arthrichitin (CAS 185377-91-7) is a chemical compound with molecular formula C33H46N4O9 and molecular weight 642.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,6S,9R,12S,13S)-13-[(2R)-decan-2-yl]-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid
Also Known As: Arthrichitin, spiro[2H-indene-3,4'-piperidine]-1-one, 3-[(3S,6S,9R,12S,13S)-13-[(2R)-decan-2-yl]-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid, Cyclo(3-hydroxy-2,4-dimethyldodecanoyl-L-alpha-glutamyl-beta-oxotryptophyl-L-seryl), 2-Methyl-2-propanyl 2-[4-(trifluoromethyl)benzyl]hydrazinecarboxy late
| Molecular Formula | C33H46N4O9 |
|---|---|
| Molecular Weight | 642.33 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 642.3265 |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 185377-91-7 |
|---|---|
| SMILES | CCCCCCCC[C@@H](C)[C@H]1[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CO)C(=O)C2=CNC3=CC=CC=C32)CCC(=O)O)C |
| InChIKey | VNRAPWIEXZLTKI-ZDSZPENHSA-N |
Product Overview
Arthrichitin (CAS 185377-91-7), with molecular formula C33H46N4O9 and molecular weight 642.33 g/mol. IUPAC: 3-[(3S,6S,9R,12S,13S)-13-[(2R)-decan-2-yl]-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid.
Chemical Property Profile of Arthrichitin
Property Insights of Arthrichitin
The XLogP value of 5.0 indicates that Arthrichitin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting Arthrichitin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arthrichitin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arthrichitin?
The CAS number of Arthrichitin is 185377-91-7.
What is the molecular formula of Arthrichitin?
The molecular formula of Arthrichitin is C33H46N4O9.
What is the molecular weight of Arthrichitin?
The molecular weight of Arthrichitin is 642.33 g/mol.
Where can I buy Arthrichitin?
You can request a quote for Arthrichitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arthrichitin?
Yes, KEHONG BIO provides custom synthesis services for Arthrichitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.