2,5-Diisocyanovaleric acid methyl ester
TL;DR: 2,5-Diisocyanovaleric acid methyl ester (CAS 150765-87-0) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-diisocyanopentanoate
Also Known As: 2,5-Diisocyanovaleric acid methyl ester, Methyl 2,5-diisocyanopentanoate, 2,5-Diisocyanopentanoic acid methyl ester, (S)-2,5-Diisocyano-pentanoic acid methyl ester, B2699-031460
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.14678 |
| Topological Polar Surface Area | 35.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 224.19281 |
Chemical Identifiers
| CAS Number | 150765-87-0 |
|---|---|
| SMILES | COC(=O)C(CCC[N+]#[C-])[N+]#[C-] |
Product Overview
2,5-Diisocyanovaleric acid methyl ester (CAS 150765-87-0), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: methyl 2,5-diisocyanopentanoate.
Chemical Property Profile of 2,5-Diisocyanovaleric acid methyl ester
Property Insights of 2,5-Diisocyanovaleric acid methyl ester
The XLogP value of 1.14678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diisocyanovaleric acid methyl ester. With a topological polar surface area (TPSA) of 35.02 Ų, 2,5-Diisocyanovaleric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diisocyanovaleric acid methyl ester has 0 hydrogen bond donor(s) and 2 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 2,5-Diisocyanovaleric acid methyl ester?
The CAS number of 2,5-Diisocyanovaleric acid methyl ester is 150765-87-0.
What is the molecular formula of 2,5-Diisocyanovaleric acid methyl ester?
The molecular formula of 2,5-Diisocyanovaleric acid methyl ester is C8H10N2O2.
What is the molecular weight of 2,5-Diisocyanovaleric acid methyl ester?
The molecular weight of 2,5-Diisocyanovaleric acid methyl ester is 166.07 g/mol.
Where can I buy 2,5-Diisocyanovaleric acid methyl ester?
You can request a quote for 2,5-Diisocyanovaleric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diisocyanovaleric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diisocyanovaleric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.