Betulinic acid NH-CH2CONH-HepCOOH deriv.
TL;DR: Betulinic acid NH-CH2CONH-HepCOOH deriv. (CAS 150840-51-0) is a chemical compound with molecular formula C40H66N2O5 and molecular weight 654.4972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[[2-[[(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]acetyl]amino]octanoic acid
Also Known As: Betulinic acid NH-CH2CONH-HepCOOH deriv., Octanoic acid, 8-(((((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)acetyl)amino)-, N'-[N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-2-aminoacetyl]-8-aminooctanoic acid, 8-[(2-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyethylidene)amino]octanoic acid, 8-[(2-{[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyethylidene)amino]octanoic acid
Technical Specifications
| Molecular Formula | C40H66N2O5 |
| Molecular Weight | 654.4972 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.4972 Da |
| Heavy Atoms | 47 |
| Complexity | 1210.0 |
| 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)NCC(=O)NCCCCCCCC(=O)O |
| InChIKey | YKVWITPBSDMGRO-KUFQZFQGSA-N |
Chemical Property Profile of Betulinic acid NH-CH2CONH-HepCOOH deriv.
Property Insights of Betulinic acid NH-CH2CONH-HepCOOH deriv.
The XLogP value of 9.0 indicates that Betulinic acid NH-CH2CONH-HepCOOH 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-CH2CONH-HepCOOH deriv.. Following Lipinski's Rule of Five, Betulinic acid NH-CH2CONH-HepCOOH deriv. has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Betulinic acid NH-CH2CONH-HepCOOH deriv.?
The CAS number of Betulinic acid NH-CH2CONH-HepCOOH deriv. is 150840-51-0.
What is the molecular formula of Betulinic acid NH-CH2CONH-HepCOOH deriv.?
The molecular formula of Betulinic acid NH-CH2CONH-HepCOOH deriv. is C40H66N2O5.
What is the molecular weight of Betulinic acid NH-CH2CONH-HepCOOH deriv.?
The molecular weight of Betulinic acid NH-CH2CONH-HepCOOH deriv. is 654.4972 g/mol.
Where can I buy Betulinic acid NH-CH2CONH-HepCOOH deriv.?
You can request a quote for Betulinic acid NH-CH2CONH-HepCOOH deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Betulinic acid NH-CH2CONH-HepCOOH deriv.?
Yes, CoreyChem provides custom synthesis services for Betulinic acid NH-CH2CONH-HepCOOH deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.