IC 9564
TL;DR: IC 9564 (CAS 174847-98-4) is a chemical compound with molecular formula C46H78N2O6 and molecular weight 754.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid
Also Known As: IC 9564, J1.468.473E, (3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid, (3R,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid, Heptanoic acid, 3-hydroxy-4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-6-methyl-, (R-(R*,S*))-
| Molecular Formula | C46H78N2O6 |
|---|---|
| Molecular Weight | 754.59 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 754.586 |
| Heavy Atoms | 54 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 174847-98-4 |
|---|---|
| SMILES | CC(C)C[C@@H]([C@@H](CC(=O)O)O)NC(=O)CCCCCCCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=C)C |
| InChIKey | SPZFCKVVHXRLAI-ZGEYYWTRSA-N |
Product Overview
IC 9564 (CAS 174847-98-4), with molecular formula C46H78N2O6 and molecular weight 754.59 g/mol. IUPAC: (3R,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid.
Chemical Property Profile of IC 9564
Property Insights of IC 9564
The XLogP value of 10.0 indicates that IC 9564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IC 9564. Following Lipinski's Rule of Five, IC 9564 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IC 9564?
The CAS number of IC 9564 is 174847-98-4.
What is the molecular formula of IC 9564?
The molecular formula of IC 9564 is C46H78N2O6.
What is the molecular weight of IC 9564?
The molecular weight of IC 9564 is 754.59 g/mol.
Where can I buy IC 9564?
You can request a quote for IC 9564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IC 9564?
Yes, KEHONG BIO provides custom synthesis services for IC 9564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.