Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
TL;DR: Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- (CAS 150840-29-2) is a chemical compound with molecular formula C38H63NO4 and molecular weight 597.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]octanoic acid
Also Known As: Betulinic acid NH-HepCOOH deriv., Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-, 8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid, 8-{[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid, Octanoic acid, 8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-
| Molecular Formula | C38H63NO4 |
|---|---|
| Molecular Weight | 597.48 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.4757 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 150840-29-2 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([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(=O)NCCCCCCCC(=O)O |
| InChIKey | BBBZHWUAVJQHOG-HFQKFOCCSA-N |
Product Overview
Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- (CAS 150840-29-2), with molecular formula C38H63NO4 and molecular weight 597.48 g/mol. IUPAC: 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]octanoic acid.
Chemical Property Profile of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
Property Insights of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-
The XLogP value of 9.6 indicates that Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-. Following Lipinski's Rule of Five, Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-?
The CAS number of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- is 150840-29-2.
What is the molecular formula of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-?
The molecular formula of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- is C38H63NO4.
What is the molecular weight of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-?
The molecular weight of Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- is 597.48 g/mol.
Where can I buy Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-?
You can request a quote for Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.