beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride
TL;DR: beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 98435-03-1) is a chemical compound with molecular formula C7H14Cl3NO2 and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxyethyl-bis(2-chloroethyl)azanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-beta-alanine hydrochloride, 3-(Bis-(2-chloroethyl)amino)propionic acid hydrochloride, beta-ALANINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE, 2-carboxyethyl-bis(2-chloroethyl)azanium chloride, RefChem:1079584
| Molecular Formula | C7H14Cl3NO2 |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | -3.17 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.00902 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 98435-03-1 |
|---|---|
| SMILES | C(C[NH+](CCCl)CCCl)C(=O)O.[Cl-] |
| InChIKey | HDNAUNRJPOGZRY-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 98435-03-1), with molecular formula C7H14Cl3NO2 and molecular weight 249.01 g/mol. IUPAC: 2-carboxyethyl-bis(2-chloroethyl)azanium chloride.
Chemical Property Profile of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride
Property Insights of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride
The XLogP value of -3.17 indicates that beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride has 2 hydrogen bond donor(s) and 3 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,N-bis(2-chloroethyl)-, hydrochloride?
The CAS number of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride is 98435-03-1.
What is the molecular formula of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular formula of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride is C7H14Cl3NO2.
What is the molecular weight of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular weight of beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride is 249.01 g/mol.
Where can I buy beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride?
You can request a quote for beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride 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,N-bis(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.