5-癸炔二酸
TL;DR: 5-癸炔二酸 (CAS 3646-44-4) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-癸炔二酸
dec-5-ynedioic acid
Also Known As: 5-Decynedioic acid, dec-5-ynedioic acid, 5-Decindisaeure, NCI60_023271, RefChem:102445
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 3646-44-4 |
|---|---|
| SMILES | C(CC#CCCCC(=O)O)CC(=O)O |
| InChIKey | MYYSSKJPRXUJHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-癸炔二酸 (CAS 3646-44-4), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: dec-5-ynedioic acid.
Chemical Property Profile of 5-癸炔二酸
Property Insights of 5-癸炔二酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-癸炔二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-癸炔二酸. Following Lipinski's Rule of Five, 5-癸炔二酸 has 2 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 5-癸炔二酸?
The CAS number of 5-癸炔二酸 is 3646-44-4.
What is the molecular formula of 5-癸炔二酸?
The molecular formula of 5-癸炔二酸 is C10H14O4.
What is the molecular weight of 5-癸炔二酸?
The molecular weight of 5-癸炔二酸 is 198.09 g/mol.
Where can I buy 5-癸炔二酸?
You can request a quote for 5-癸炔二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-癸炔二酸?
Yes, KEHONG BIO provides custom synthesis services for 5-癸炔二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.