12-(羟甲基)松烷-18-酸
TL;DR: 12-(羟甲基)松烷-18-酸 (CAS 27050-36-8) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(羟甲基)松烷-18-酸
6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Also Known As: 12-(hydroxymethyl)abietan-18-oic acid, 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7, 1-Phenanthrenecarboxylicacid, tetradecahydro-6-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-, 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 27050-36-8 |
|---|---|
| SMILES | CC(C)C1CC2CCC3C(C2CC1CO)(CCCC3(C)C(=O)O)C |
| InChIKey | KZSCUPZZIHOXHT-UHFFFAOYSA-N |
Product Overview
12-(羟甲基)松烷-18-酸 (CAS 27050-36-8), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of 12-(羟甲基)松烷-18-酸
Property Insights of 12-(羟甲基)松烷-18-酸
The XLogP value of 5.4 indicates that 12-(羟甲基)松烷-18-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 12-(羟甲基)松烷-18-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-(羟甲基)松烷-18-酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-(羟甲基)松烷-18-酸?
The CAS number of 12-(羟甲基)松烷-18-酸 is 27050-36-8.
What is the molecular formula of 12-(羟甲基)松烷-18-酸?
The molecular formula of 12-(羟甲基)松烷-18-酸 is C21H36O3.
What is the molecular weight of 12-(羟甲基)松烷-18-酸?
The molecular weight of 12-(羟甲基)松烷-18-酸 is 336.27 g/mol.
Where can I buy 12-(羟甲基)松烷-18-酸?
You can request a quote for 12-(羟甲基)松烷-18-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(羟甲基)松烷-18-酸?
Yes, KEHONG BIO provides custom synthesis services for 12-(羟甲基)松烷-18-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.