Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
TL;DR: Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride (CAS 98435-06-4) is a chemical compound with molecular formula C7H14Cl3NO3 and molecular weight 265.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N,N-bis(2-chloroethyl)-1-hydroxy-1-oxopropan-2-amine oxide;hydrochloride
Also Known As: N,N-Bis(2-chloroethyl)alanine N-oxide hydrochloride, Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride, (1S)-1-Carboxy-N,N-bis(2-chloroethyl)ethan-1-amine N-oxide--hydrogen chloride (1/1), (2S)-N,N-bis(2-chloroethyl)-1-hydroxy-1-oxopropan-2-amine oxide hydrochloride, RefChem:317980
| Molecular Formula | C7H14Cl3NO3 |
|---|---|
| Molecular Weight | 265.00 g/mol |
| LogP | 1.6735 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.00394 |
| Heavy Atoms | 14 |
| Complexity | 173.56296 |
Chemical Identifiers
| CAS Number | 98435-06-4 |
|---|---|
| SMILES | C[C@@H](C(=O)O)[N+](CCCl)(CCCl)[O-].Cl |
Product Overview
Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride (CAS 98435-06-4), with molecular formula C7H14Cl3NO3 and molecular weight 265.00 g/mol. IUPAC: (2S)-N,N-bis(2-chloroethyl)-1-hydroxy-1-oxopropan-2-amine oxide;hydrochloride.
Chemical Property Profile of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
Property Insights of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
The XLogP value of 1.6735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride. Following Lipinski's Rule of Five, Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride has 1 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 Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The CAS number of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is 98435-06-4.
What is the molecular formula of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The molecular formula of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is C7H14Cl3NO3.
What is the molecular weight of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The molecular weight of Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is 265.00 g/mol.
Where can I buy Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
You can request a quote for Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.