isodomoic acid B
TL;DR: isodomoic acid B (CAS 101977-25-7) 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-[(2E,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Also Known As: Isodomoic acid B, (-)-Isodomoic acid B, ISODOMOIC ACID E, (2S,3S,4S)-4-[(2E,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid, (2S)-2alpha-Carboxy-4beta-[(1E,4E)-5-carboxy-1-methyl-1,4-hexadienyl]-3beta-pyrrolidineacetic 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 | 101977-25-7 |
|---|---|
| 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 B (CAS 101977-25-7), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: (2S,3S,4S)-4-[(2E,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of isodomoic acid B
Property Insights of isodomoic acid B
The XLogP value of 1.1172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isodomoic acid B. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for isodomoic acid B. Following Lipinski's Rule of Five, isodomoic acid B 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 B?
The CAS number of isodomoic acid B is 101977-25-7.
What is the molecular formula of isodomoic acid B?
The molecular formula of isodomoic acid B is C15H21NO6.
What is the molecular weight of isodomoic acid B?
The molecular weight of isodomoic acid B is 311.14 g/mol.
Where can I buy isodomoic acid B?
You can request a quote for isodomoic acid B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isodomoic acid B?
Yes, KEHONG BIO provides custom synthesis services for isodomoic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.