原便秘酸
TL;DR: 原便秘酸 (CAS 950-86-7) is a chemical compound with molecular formula C21H36O5 and molecular weight 368.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原便秘酸
(2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Also Known As: Protoconstipatic acid, Murolic acid, J1.362.371F, (2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid, (2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylidene-5-oxotetrahydrofuran-3-carboxylic acid
| Molecular Formula | C21H36O5 |
|---|---|
| Molecular Weight | 368.26 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 368.2563 |
| Heavy Atoms | 26 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 950-86-7 |
|---|---|
| SMILES | C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)O |
| InChIKey | UYUDMGMNHAKPEV-YTQUADARSA-N |
Product Overview
原便秘酸 (CAS 950-86-7), with molecular formula C21H36O5 and molecular weight 368.26 g/mol. IUPAC: (2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid.
Chemical Property Profile of 原便秘酸
Property Insights of 原便秘酸
The XLogP value of 6.1 indicates that 原便秘酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 原便秘酸. Following Lipinski's Rule of Five, 原便秘酸 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 原便秘酸?
The CAS number of 原便秘酸 is 950-86-7.
What is the molecular formula of 原便秘酸?
The molecular formula of 原便秘酸 is C21H36O5.
What is the molecular weight of 原便秘酸?
The molecular weight of 原便秘酸 is 368.26 g/mol.
Where can I buy 原便秘酸?
You can request a quote for 原便秘酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原便秘酸?
Yes, KEHONG BIO provides custom synthesis services for 原便秘酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.