分支酸
TL;DR: 分支酸 (CAS 617-12-9) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
分支酸
3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
Also Known As: chorismic acid, 5-Amino-4-chloro-3-methylisoxazole, a-(5-carboxy-1,2-dihydro-2-hydroxyphenoxy)acrylic acid, (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, 4-hydroxy-3-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,5-diene-1-carboxylic acid
| Molecular Formula | C10H10O6 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04774 |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 617-12-9 |
|---|---|
| SMILES | C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O |
| InChIKey | WTFXTQVDAKGDEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
分支酸 (CAS 617-12-9), with molecular formula C10H10O6 and molecular weight 226.05 g/mol. IUPAC: 3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid.
Chemical Property Profile of 分支酸
Property Insights of 分支酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 分支酸. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 分支酸. Following Lipinski's Rule of Five, 分支酸 has 3 hydrogen bond donor(s) and 6 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 分支酸?
The CAS number of 分支酸 is 617-12-9.
What is the molecular formula of 分支酸?
The molecular formula of 分支酸 is C10H10O6.
What is the molecular weight of 分支酸?
The molecular weight of 分支酸 is 226.05 g/mol.
Where can I buy 分支酸?
You can request a quote for 分支酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 分支酸?
Yes, KEHONG BIO provides custom synthesis services for 分支酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.