11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid
TL;DR: 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid (CAS 173106-46-2) is a chemical compound with molecular formula C41H69NO4 and molecular weight 639.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[[(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]chrysen-3a-yl]amino]-12-oxododecanoic acid
Also Known As: Betulinic acid, undecanoate deriv., Benzenaminium,N,N,N-trimethyl-,acetate, 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid, Dodecanoic acid, 12-((3beta)-3-hydroxy-28-norlup-20(29)-en-17-yl)-12-oxo-, 12-[[(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]chrysen-3a-yl]amino]-12-oxododecanoic acid
| Molecular Formula | C41H69NO4 |
|---|---|
| Molecular Weight | 639.52 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 639.52264 |
| Heavy Atoms | 46 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 173106-46-2 |
|---|---|
| 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)NC(=O)CCCCCCCCCCC(=O)O |
| InChIKey | ULGQTYCLGUYEJA-OOIWYLDHSA-N |
Product Overview
11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid (CAS 173106-46-2), with molecular formula C41H69NO4 and molecular weight 639.52 g/mol. IUPAC: 12-[[(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]chrysen-3a-yl]amino]-12-oxododecanoic acid.
Chemical Property Profile of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid
Property Insights of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid
The XLogP value of 11.1 indicates that 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid 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 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid. Following Lipinski's Rule of Five, 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid 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 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid?
The CAS number of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid is 173106-46-2.
What is the molecular formula of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid?
The molecular formula of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid is C41H69NO4.
What is the molecular weight of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid?
The molecular weight of 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid is 639.52 g/mol.
Where can I buy 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid?
You can request a quote for 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-((3beta-Acetoxy-28-norlup-20(29)-en-17-yl)carbamoyl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.