beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester
TL;DR: beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester (CAS 70103-84-3) is a chemical compound with molecular formula C10H18N2O5 and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-acetyloxybutyl(nitroso)amino]propanoate
Also Known As: beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester, methyl 3-[1-acetyloxybutyl(nitroso)amino]propanoate, METHYL 3-(1-ACETYLOXYBUTYL-NITROSO-AMINO)PROPANOATE, METHYL 3-{[1-(ACETYLOXY)BUTYL](NITROSO)AMINO}PROPANOATE
| Molecular Formula | C10H18N2O5 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.12157 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 70103-84-3 |
|---|---|
| SMILES | CCCC(N(CCC(=O)OC)N=O)OC(=O)C |
| InChIKey | IFIMFEDHVFCYJK-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester (CAS 70103-84-3), with molecular formula C10H18N2O5 and molecular weight 246.12 g/mol. IUPAC: methyl 3-[1-acetyloxybutyl(nitroso)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester
Property Insights of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester has 0 hydrogen bond donor(s) and 7 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 beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester?
The CAS number of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester is 70103-84-3.
What is the molecular formula of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester?
The molecular formula of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester is C10H18N2O5.
What is the molecular weight of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester?
The molecular weight of beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester is 246.12 g/mol.
Where can I buy beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester?
You can request a quote for beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(1-(acetyloxy)butyl)-N-nitroso-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.