Betulinic acid, 11-aminoundecanoate deriv.
TL;DR: Betulinic acid, 11-aminoundecanoate deriv. (CAS 173106-38-2) is a chemical compound with molecular formula C43H71NO6S and molecular weight 729.50 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,11bR,13aR,13bS)-1-[3-(carboxymethylsulfanyl)prop-1-en-2-yl]-9-hydroxy-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-((carboxymethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid, Undecanoic acid, 11-(((3beta)-30-((carboxymethyl)thio)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-, N-[3.beta.-Hydroxy-30-[(carboxymethyl)thio]lup-20(29)-en-28-oyl]-11-aminoundecanoic acid, 11-({29-[(Carboxymethyl)sulfanyl]-3,28-dihydroxylup-20(30)-en-28-ylidene}amino)undecanoic acid
| Molecular Formula | C43H71NO6S |
|---|---|
| Molecular Weight | 729.50 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 729.5002 |
| Heavy Atoms | 51 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 173106-38-2 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CSCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O |
| InChIKey | MOXUSMLQESTWJB-MEUQDLEQSA-N |
Product Overview
Betulinic acid, 11-aminoundecanoate deriv. (CAS 173106-38-2), with molecular formula C43H71NO6S and molecular weight 729.50 g/mol. IUPAC: 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[3-(carboxymethylsulfanyl)prop-1-en-2-yl]-9-hydroxy-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 10.9 indicates that Betulinic acid, 11-aminoundecanoate deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Betulinic acid, 11-aminoundecanoate deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betulinic acid, 11-aminoundecanoate deriv. has 4 hydrogen bond donor(s) and 7 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 173106-38-2.
What is the molecular formula of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular formula of Betulinic acid, 11-aminoundecanoate deriv. is C43H71NO6S.
What is the molecular weight of Betulinic acid, 11-aminoundecanoate deriv.?
The molecular weight of Betulinic acid, 11-aminoundecanoate deriv. is 729.50 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.