Isodomoic acid A
TL;DR: Isodomoic acid A (CAS 101899-44-9) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Also Known As: Isodomoic acid A, Isodomoic acid B, (-)-Isodomoic acid B, DDAJBUQQWFXHDM-UUYKTWPLSA-, (2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic Acid
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 1.1172 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 522.12573 |
Chemical Identifiers
| CAS Number | 101899-44-9 |
|---|---|
| SMILES | C/C(=C/C/C=C(\C)/C(=O)O)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O |
Product Overview
Isodomoic acid A (CAS 101899-44-9), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: (2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Isodomoic acid A
Property Insights of Isodomoic acid A
The XLogP value of 1.1172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodomoic acid A. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodomoic acid A. Following Lipinski's Rule of Five, Isodomoic acid A has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isodomoic acid A?
The CAS number of Isodomoic acid A is 101899-44-9.
What is the molecular formula of Isodomoic acid A?
The molecular formula of Isodomoic acid A is C15H21NO6.
What is the molecular weight of Isodomoic acid A?
The molecular weight of Isodomoic acid A is 311.14 g/mol.
Where can I buy Isodomoic acid A?
You can request a quote for Isodomoic acid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodomoic acid A?
Yes, KEHONG BIO provides custom synthesis services for Isodomoic acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.