2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride
TL;DR: 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride (CAS 101858-38-2) is a chemical compound with molecular formula C15H22Cl3N5O11S and molecular weight 585.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[bis(2-chloroethyl)amino]pentanoic acid;2,4,6-trinitrobenzenesulfonic acid;hydrochloride
Also Known As: 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride, Ornithine, N(sup 5),N(sup 5)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride, (2S)-2-amino-5-[bis(2-chloroethyl)amino]pentanoic acid; 2,4,6-trinitrobenzenesulfonic acid; hydrochloride, N~5~,N~5~-Bis(2-chloroethyl)-L-ornithine--2,4,6-trinitrobenzene-1-sulfonic acid--hydrogen chloride (1/1/1), RefChem:366986
| Molecular Formula | C15H22Cl3N5O11S |
|---|---|
| Molecular Weight | 585.01 g/mol |
| LogP | 2.0378 |
| Topological Polar Surface Area | 250.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 585.0102 |
| Heavy Atoms | 35 |
| Complexity | 971.25085 |
Chemical Identifiers
| CAS Number | 101858-38-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].C(C[C@@H](C(=O)O)N)CN(CCCl)CCCl.Cl |
Product Overview
2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride (CAS 101858-38-2), with molecular formula C15H22Cl3N5O11S and molecular weight 585.01 g/mol. IUPAC: (2S)-2-amino-5-[bis(2-chloroethyl)amino]pentanoic acid;2,4,6-trinitrobenzenesulfonic acid;hydrochloride.
Chemical Property Profile of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride
Property Insights of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride
The XLogP value of 2.0378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride. The TPSA of 250.35 Ų indicates high polarity, suggesting 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
The CAS number of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride is 101858-38-2.
What is the molecular formula of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
The molecular formula of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride is C15H22Cl3N5O11S.
What is the molecular weight of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
The molecular weight of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride is 585.01 g/mol.
Where can I buy 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
You can request a quote for 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.