ASI-222 dihydrate
TL;DR: ASI-222 dihydrate (CAS 63938-94-3) is a chemical compound with molecular formula C29H49NO9 and molecular weight 555.34076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;dihydrate
Also Known As: ASI-222 dihydrate, hex-3-ene-3,4-diyldibenzene-4,1-diyl dihexadecanoate, 3-beta-O-(4-Amino-4,6-dideoxy-beta-D-galactopyranosyl)digitoxigenin dihydrate, 3-[(4-amino-4,6-dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide dihydrate, 3-[3-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;dihydrate
Technical Specifications
| Molecular Formula | C29H49NO9 |
| Molecular Weight | 555.34076 g/mol |
| XLogP | 0.77 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 555.34076 Da |
| Heavy Atoms | 39 |
| Complexity | 957.0 |
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)N.O.O |
| InChIKey | GGAGHJPEAFYWMB-UHFFFAOYSA-N |
Chemical Property Profile of ASI-222 dihydrate
Property Insights of ASI-222 dihydrate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASI-222 dihydrate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ASI-222 dihydrate. Following Lipinski's Rule of Five, ASI-222 dihydrate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ASI-222 dihydrate?
The CAS number of ASI-222 dihydrate is 63938-94-3.
What is the molecular formula of ASI-222 dihydrate?
The molecular formula of ASI-222 dihydrate is C29H49NO9.
What is the molecular weight of ASI-222 dihydrate?
The molecular weight of ASI-222 dihydrate is 555.34076 g/mol.
Where can I buy ASI-222 dihydrate?
You can request a quote for ASI-222 dihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ASI-222 dihydrate?
Yes, CoreyChem provides custom synthesis services for ASI-222 dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.