Betulinic acid NH-HepCONHPrCOOH deriv.
TL;DR: Betulinic acid NH-HepCONHPrCOOH deriv. (CAS 174740-56-8) is a chemical compound with molecular formula C42H70N2O6 and molecular weight 698.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[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]octanoylamino]-3-hydroxybutanoic acid
Also Known As: Betulinic acid NH-HepCONHPrCOOH deriv., (3R,S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxybutyric acid, Butanoic acid, 3-hydroxy-4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-, (3R,S)-N'-[N-3.beta.-Hydroxylup-20(29)-en-28-oyl]-8-aminooctanoyl]-4-amino-3-hydroxybutyric acid, 4-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]-3-hydroxybutanoic acid
| Molecular Formula | C42H70N2O6 |
|---|---|
| Molecular Weight | 698.52 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 698.5234 |
| Heavy Atoms | 50 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 174740-56-8 |
|---|---|
| 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)NCC(CC(=O)O)O |
| InChIKey | AYOCYBPDYPSXIV-OKZCBTSDSA-N |
Product Overview
Betulinic acid NH-HepCONHPrCOOH deriv. (CAS 174740-56-8), with molecular formula C42H70N2O6 and molecular weight 698.52 g/mol. IUPAC: 4-[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]octanoylamino]-3-hydroxybutanoic acid.
Chemical Property Profile of Betulinic acid NH-HepCONHPrCOOH deriv.
Property Insights of Betulinic acid NH-HepCONHPrCOOH deriv.
The XLogP value of 8.2 indicates that Betulinic acid NH-HepCONHPrCOOH deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Betulinic acid NH-HepCONHPrCOOH deriv.. Following Lipinski's Rule of Five, Betulinic acid NH-HepCONHPrCOOH deriv. has 5 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 NH-HepCONHPrCOOH deriv.?
The CAS number of Betulinic acid NH-HepCONHPrCOOH deriv. is 174740-56-8.
What is the molecular formula of Betulinic acid NH-HepCONHPrCOOH deriv.?
The molecular formula of Betulinic acid NH-HepCONHPrCOOH deriv. is C42H70N2O6.
What is the molecular weight of Betulinic acid NH-HepCONHPrCOOH deriv.?
The molecular weight of Betulinic acid NH-HepCONHPrCOOH deriv. is 698.52 g/mol.
Where can I buy Betulinic acid NH-HepCONHPrCOOH deriv.?
You can request a quote for Betulinic acid NH-HepCONHPrCOOH 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 NH-HepCONHPrCOOH deriv.?
Yes, KEHONG BIO provides custom synthesis services for Betulinic acid NH-HepCONHPrCOOH deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.