CCRIS 2103
TL;DR: CCRIS 2103 (CAS 109430-02-6) is a chemical compound with molecular formula C41H46N2O8 and molecular weight 694.32544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,10aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Also Known As: KST-1A0502, Ergoline, 8,9-didehydro-6,8-dimethyl-1-pentyl-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1), 1-Pentylagroclavine (-)-di-O,O'-p-toluoyl hydrogen(2R,3R)-tartrate, (2r,3r)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid- 6,8-dimethyl-1-pentyl-8,9-didehydroergoline(1:1), 1-PENTYLAGROCLAVINE (-)-DI-O,O'-P-TOLUOYL HYDROGEN (2R,3R)-TARTRATE
Technical Specifications
| Molecular Formula | C41H46N2O8 |
| Molecular Weight | 694.32544 g/mol |
| XLogP | 6.95514 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 694.32544 Da |
| Heavy Atoms | 51 |
| Complexity | 990.0 |
| SMILES | CCCCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
| InChIKey | QYINIADJZVQSAQ-GBJZYFBVSA-N |
Chemical Property Profile of CCRIS 2103
Property Insights of CCRIS 2103
The XLogP value of 6.95514 indicates that CCRIS 2103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 2103. Following Lipinski's Rule of Five, CCRIS 2103 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CCRIS 2103?
The CAS number of CCRIS 2103 is 109430-02-6.
What is the molecular formula of CCRIS 2103?
The molecular formula of CCRIS 2103 is C41H46N2O8.
What is the molecular weight of CCRIS 2103?
The molecular weight of CCRIS 2103 is 694.32544 g/mol.
Where can I buy CCRIS 2103?
You can request a quote for CCRIS 2103 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CCRIS 2103?
Yes, CoreyChem provides custom synthesis services for CCRIS 2103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.