beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE
TL;DR: beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE (CAS 79448-03-6) 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-[4-acetyloxybutyl(nitroso)amino]propanoate
Also Known As: Mceabn, N- -N- nitrosamine, methyl 3-[4-acetyloxybutyl(nitroso)amino]propanoate, beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE, N-(2-Methoxycarbonylethyl)-N-(1-acetoxybutyl)nitrosamine
| Molecular Formula | C10H18N2O5 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.12157 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 79448-03-6 |
|---|---|
| SMILES | CC(=O)OCCCCN(CCC(=O)OC)N=O |
| InChIKey | KXLRIZIEOMOUDZ-UHFFFAOYSA-N |
Product Overview
beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE (CAS 79448-03-6), with molecular formula C10H18N2O5 and molecular weight 246.12 g/mol. IUPAC: methyl 3-[4-acetyloxybutyl(nitroso)amino]propanoate.
Chemical Property Profile of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE
Property Insights of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE. Following Lipinski's Rule of Five, beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE 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-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE?
The CAS number of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE is 79448-03-6.
What is the molecular formula of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE?
The molecular formula of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE is C10H18N2O5.
What is the molecular weight of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE?
The molecular weight of beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE is 246.12 g/mol.
Where can I buy beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE?
You can request a quote for beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE 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-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE?
Yes, KEHONG BIO provides custom synthesis services for beta-ALANINE, N-(4-HYDROXYBUTYL)-N-NITROSO-, METHYL ESTER, ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.