Einecs 250-876-5
TL;DR: Einecs 250-876-5 (CAS 31970-90-8) is a chemical compound with molecular formula C13H24N6O4 and molecular weight 328.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanedioic acid;1,3,5-triazine-2,4,6-triamine
Also Known As: EINECS 250-876-5, EINECS 303-194-8, decanedioic acid,1,3,5-triazine-2,4,6-triamine, decanedioic acid; 1,3,5-triazine-2,4,6-triamine, Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine
| Molecular Formula | C13H24N6O4 |
|---|---|
| Molecular Weight | 328.19 g/mol |
| LogP | 0.8946 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.1859 |
| Heavy Atoms | 23 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 31970-90-8 |
|---|---|
| SMILES | C(CCCCC(=O)O)CCCC(=O)O.C1(=NC(=NC(=N1)N)N)N |
| InChIKey | YRNURYHCEJJLHP-UHFFFAOYSA-N |
Product Overview
Einecs 250-876-5 (CAS 31970-90-8), with molecular formula C13H24N6O4 and molecular weight 328.19 g/mol. IUPAC: decanedioic acid;1,3,5-triazine-2,4,6-triamine.
Chemical Property Profile of Einecs 250-876-5
Property Insights of Einecs 250-876-5
The XLogP value of 0.8946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 250-876-5. The TPSA of 191.0 Ų indicates high polarity, suggesting Einecs 250-876-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 250-876-5 has 5 hydrogen bond donor(s) and 10 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 Einecs 250-876-5?
The CAS number of Einecs 250-876-5 is 31970-90-8.
What is the molecular formula of Einecs 250-876-5?
The molecular formula of Einecs 250-876-5 is C13H24N6O4.
What is the molecular weight of Einecs 250-876-5?
The molecular weight of Einecs 250-876-5 is 328.19 g/mol.
Where can I buy Einecs 250-876-5?
You can request a quote for Einecs 250-876-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 250-876-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 250-876-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.