Betulinic acid, 11-aminoundecanoate deriv.
TL;DR: Betulinic acid, 11-aminoundecanoate deriv. (CAS 150840-83-8) is a chemical compound with molecular formula C43H73NO5S and molecular weight 715.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,13aR,13bS)-9-hydroxy-1-[3-(2-hydroxyethylsulfanyl)prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
Also Known As: Betulinic acid, 11-aminoundecanoate deriv., N-(3beta-Hydroxy-30-((2'-hydroxyethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid, Undecanoic acid, 11-(((3beta)-3-hydroxy-30-((2-hydroxyethyl)thio)-28-oxolup-20(29)-en-28-yl)amino)-, 11-({3,28-Dihydroxy-29-[(2-hydroxyethyl)sulfanyl]lup-20(30)-en-28-ylidene}amino)undecanoic acid, 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,13aR,13bS)-9-hydroxy-1-[1-(2-hydroxyethylsulfanylmethyl)vinyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
| Molecular Formula | C43H73NO5S |
|---|---|
| Molecular Weight | 715.52 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 715.52094 |
| Heavy Atoms | 50 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 150840-83-8 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CCC4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CSCCO)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | UVSAVYCJNRMRFC-BOWRCTOHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Betulinic acid, 11-aminoundecanoate deriv. (CAS 150840-83-8), with molecular formula C43H73NO5S and molecular weight 715.52 g/mol. IUPAC: 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,13aR,13bS)-9-hydroxy-1-[3-(2-hydroxyethylsulfanyl)prop-1-en-2-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid.
Chemical Property Profile of Betulinic acid, 11-aminoundecanoate deriv.
Property Insights of Betulinic acid, 11-aminoundecanoate deriv.
The XLogP value of 10.6 indicates that Betulinic acid, 11-aminoundecanoate deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betulinic acid, 11-aminoundecanoate deriv.. Following Lipinski's Rule of Five, Betulinic acid, 11-aminoundecanoate deriv. has 4 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 Betulinic acid, 11-aminoundecanoate deriv.?
The CAS number of Betulinic acid, 11-aminoundecanoate deriv. is 150840-83-8.
What is the molecular formula of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular formula of Betulinic acid, 11-aminoundecanoate deriv. is C43H73NO5S.
What is the molecular weight of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular weight of Betulinic acid, 11-aminoundecanoate deriv. is 715.52 g/mol.
Where can I buy Betulinic acid, 11-aminoundecanoate deriv.?
You can request a quote for Betulinic acid, 11-aminoundecanoate deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betulinic acid, 11-aminoundecanoate deriv.?
Yes, KEHONG BIO provides custom synthesis services for Betulinic acid, 11-aminoundecanoate deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.