Nigranoic acid
TL;DR: Nigranoic acid (CAS 39111-07-4) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-6-[8-(2-carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
Also Known As: Nigranoic acid, 3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid, (Z)-6-[8-(2-Carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 7.4936 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 903.4814 |
Chemical Identifiers
| CAS Number | 39111-07-4 |
|---|---|
| SMILES | CC(CC/C=C(/C)\C(=O)O)C1C2(C13CCC4(CCC(C4(C3CCC2)CCC(=O)O)C(=C)C)C)C |
Product Overview
Nigranoic acid (CAS 39111-07-4), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (Z)-6-[8-(2-carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid.
Chemical Property Profile of Nigranoic acid
Property Insights of Nigranoic acid
The XLogP value of 7.4936 indicates that Nigranoic acid 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 Nigranoic acid. Following Lipinski's Rule of Five, Nigranoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nigranoic acid?
The CAS number of Nigranoic acid is 39111-07-4.
What is the molecular formula of Nigranoic acid?
The molecular formula of Nigranoic acid is C30H46O4.
What is the molecular weight of Nigranoic acid?
The molecular weight of Nigranoic acid is 470.34 g/mol.
Where can I buy Nigranoic acid?
You can request a quote for Nigranoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigranoic acid?
Yes, KEHONG BIO provides custom synthesis services for Nigranoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.