AKBA
TL;DR: AKBA (CAS 67416-61-9) is a chemical compound with molecular formula C32H48O5 and molecular weight 512.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,6aR,6bS,8aR,11R,12S,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Also Known As: AKBA, acetyl-11-ketoboswellic acid, 3-Acetyl-11-keto-.beta.-boswellic acid, Acetyl-11-keto-beta-boswellic acid, 3 -Acetyl-11-keto- -boswellic acid
| Molecular Formula | C32H48O5 |
|---|---|
| Molecular Weight | 512.35 g/mol |
| LogP | 6.8393 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 512.35016 |
| Heavy Atoms | 37 |
| Complexity | 1061.3967 |
Chemical Identifiers
| CAS Number | 67416-61-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)C2[C@H]1C)C)C |
Product Overview
AKBA (CAS 67416-61-9), with molecular formula C32H48O5 and molecular weight 512.35 g/mol. IUPAC: (3R,4R,6aR,6bS,8aR,11R,12S,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid.
Chemical Property Profile of AKBA
Property Insights of AKBA
The XLogP value of 6.8393 indicates that AKBA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AKBA. Following Lipinski's Rule of Five, AKBA has 1 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 AKBA?
The CAS number of AKBA is 67416-61-9.
What is the molecular formula of AKBA?
The molecular formula of AKBA is C32H48O5.
What is the molecular weight of AKBA?
The molecular weight of AKBA is 512.35 g/mol.
Where can I buy AKBA?
You can request a quote for AKBA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AKBA?
Yes, KEHONG BIO provides custom synthesis services for AKBA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.