((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid
TL;DR: ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid (CAS 174740-63-7) is a chemical compound with molecular formula C42H70N2O5 and molecular weight 682.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[7-[[(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]heptylamino]-5-oxopentanoic acid
Also Known As: Betulinic acid NH-HepNHCOPrCOOH deriv., ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid, Pentanoic acid, 5-((7-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)heptyl)amino)-5-oxo-, [[N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-7-aminoheptyl]carbamoyl]butanoic acid, 5-[(7-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}heptyl)imino]-5-hydroxypentanoic acid
| Molecular Formula | C42H70N2O5 |
|---|---|
| Molecular Weight | 682.53 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 682.5285 |
| Heavy Atoms | 49 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 174740-63-7 |
|---|---|
| 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)NCCCCCCCNC(=O)CCCC(=O)O |
| InChIKey | XYOWOBSXOPQGFZ-RIAVWORXSA-N |
Product Overview
((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid (CAS 174740-63-7), with molecular formula C42H70N2O5 and molecular weight 682.53 g/mol. IUPAC: 5-[7-[[(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]heptylamino]-5-oxopentanoic acid.
Chemical Property Profile of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid
Property Insights of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid
The XLogP value of 9.0 indicates that ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid. Following Lipinski's Rule of Five, ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid?
The CAS number of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid is 174740-63-7.
What is the molecular formula of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid?
The molecular formula of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid is C42H70N2O5.
What is the molecular weight of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid?
The molecular weight of ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid is 682.53 g/mol.
Where can I buy ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid?
You can request a quote for ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for ((N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.