Betulinic acid NH-HepCONHEtCOOH deriv.
TL;DR: Betulinic acid NH-HepCONHEtCOOH deriv. (CAS 174740-53-5) is a chemical compound with molecular formula C41H67FN2O5 and molecular weight 686.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[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-fluoropropanoic acid
Also Known As: Betulinic acid NH-HepCONHEtCOOH deriv., (3R,S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-3-amino-3-fluoropropionic acid, Propanoic acid, 3-fluoro-3-((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]-3-amino-3-fluoropropionic acid, 3-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]-3-fluoropropanoic acid
| Molecular Formula | C41H67FN2O5 |
|---|---|
| Molecular Weight | 686.50 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.5034 |
| Heavy Atoms | 49 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 174740-53-5 |
|---|---|
| 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)NC(CC(=O)O)F |
| InChIKey | ONZMOOVHAUZXCM-NSGQPJGBSA-N |
Product Overview
Betulinic acid NH-HepCONHEtCOOH deriv. (CAS 174740-53-5), with molecular formula C41H67FN2O5 and molecular weight 686.50 g/mol. IUPAC: 3-[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-fluoropropanoic acid.
Chemical Property Profile of Betulinic acid NH-HepCONHEtCOOH deriv.
Property Insights of Betulinic acid NH-HepCONHEtCOOH deriv.
The XLogP value of 9.4 indicates that Betulinic acid NH-HepCONHEtCOOH deriv. 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 Betulinic acid NH-HepCONHEtCOOH deriv.. Following Lipinski's Rule of Five, Betulinic acid NH-HepCONHEtCOOH 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 NH-HepCONHEtCOOH deriv.?
The CAS number of Betulinic acid NH-HepCONHEtCOOH deriv. is 174740-53-5.
What is the molecular formula of Betulinic acid NH-HepCONHEtCOOH deriv.?
The molecular formula of Betulinic acid NH-HepCONHEtCOOH deriv. is C41H67FN2O5.
What is the molecular weight of Betulinic acid NH-HepCONHEtCOOH deriv.?
The molecular weight of Betulinic acid NH-HepCONHEtCOOH deriv. is 686.50 g/mol.
Where can I buy Betulinic acid NH-HepCONHEtCOOH deriv.?
You can request a quote for Betulinic acid NH-HepCONHEtCOOH 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-HepCONHEtCOOH deriv.?
Yes, KEHONG BIO provides custom synthesis services for Betulinic acid NH-HepCONHEtCOOH deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.