Betulinic acid NH-DodecCOOH deriv.
TL;DR: Betulinic acid NH-DodecCOOH deriv. (CAS 174740-44-4) is a chemical compound with molecular formula C43H73NO4 and molecular weight 667.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[[(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]tridecanoic acid
Also Known As: Betulinic acid NH-DodecCOOH deriv., N-(3beta-Hydroxylup-20(29)-en-28-oyl)-13-aminotridecanoic acid, N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-13-aminotridecanoic acid, Tridecanoic acid, 13-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-, 13-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}tridecanoic acid
| Molecular Formula | C43H73NO4 |
|---|---|
| Molecular Weight | 667.55 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 667.55396 |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 174740-44-4 |
|---|---|
| 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)NCCCCCCCCCCCCC(=O)O |
| InChIKey | QAHGUQMAFUOCRE-LBPZTPFYSA-N |
Product Overview
Betulinic acid NH-DodecCOOH deriv. (CAS 174740-44-4), with molecular formula C43H73NO4 and molecular weight 667.55 g/mol. IUPAC: 13-[[(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]tridecanoic acid.
Chemical Property Profile of Betulinic acid NH-DodecCOOH deriv.
Property Insights of Betulinic acid NH-DodecCOOH deriv.
The XLogP value of 12.3 indicates that Betulinic acid NH-DodecCOOH deriv. 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 Betulinic acid NH-DodecCOOH deriv.. Following Lipinski's Rule of Five, Betulinic acid NH-DodecCOOH deriv. 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 Betulinic acid NH-DodecCOOH deriv.?
The CAS number of Betulinic acid NH-DodecCOOH deriv. is 174740-44-4.
What is the molecular formula of Betulinic acid NH-DodecCOOH deriv.?
The molecular formula of Betulinic acid NH-DodecCOOH deriv. is C43H73NO4.
What is the molecular weight of Betulinic acid NH-DodecCOOH deriv.?
The molecular weight of Betulinic acid NH-DodecCOOH deriv. is 667.55 g/mol.
Where can I buy Betulinic acid NH-DodecCOOH deriv.?
You can request a quote for Betulinic acid NH-DodecCOOH 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-DodecCOOH deriv.?
Yes, KEHONG BIO provides custom synthesis services for Betulinic acid NH-DodecCOOH deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.