悬铃木酸
TL;DR: 悬铃木酸 (CAS 6060-06-6) is a chemical compound with molecular formula C29H46O4 and molecular weight 458.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
悬铃木酸
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Also Known As: Platanic acid, Triterpenoid, N-Acetylprocaine, 3beta-Hydroxy-20-oxo-30-norlupan-28-oic acid, 3-Hydroxy-20-oxonorlupan-28-oic acid, (3.beta.)
| Molecular Formula | C29H46O4 |
|---|---|
| Molecular Weight | 458.34 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.3396 |
| Heavy Atoms | 33 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 6060-06-6 |
|---|---|
| SMILES | CC(=O)[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)O |
| InChIKey | RVMPLOSJMIQORE-FUAAEJBOSA-N |
Product Overview
悬铃木酸 (CAS 6060-06-6), with molecular formula C29H46O4 and molecular weight 458.34 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid.
Chemical Property Profile of 悬铃木酸
Property Insights of 悬铃木酸
The XLogP value of 6.2 indicates that 悬铃木酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 悬铃木酸. Following Lipinski's Rule of Five, 悬铃木酸 has 2 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 悬铃木酸?
The CAS number of 悬铃木酸 is 6060-06-6.
What is the molecular formula of 悬铃木酸?
The molecular formula of 悬铃木酸 is C29H46O4.
What is the molecular weight of 悬铃木酸?
The molecular weight of 悬铃木酸 is 458.34 g/mol.
Where can I buy 悬铃木酸?
You can request a quote for 悬铃木酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 悬铃木酸?
Yes, KEHONG BIO provides custom synthesis services for 悬铃木酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.