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 585.0102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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)
Technical Specifications
| Molecular Formula | C15H22Cl3N5O11S |
| Molecular Weight | 585.0102 g/mol |
| XLogP | 2.0378 |
| Topological Polar Surface Area (TPSA) | 267.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 585.0102 Da |
| Heavy Atoms | 35 |
| Complexity | 646.0 |
| 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 |
| InChIKey | IRVNESSVSYVAQV-JZGIKJSDSA-N |
Product Description
Applications: AC1MI6QE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI6QE (CAS 101858-38-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1MI6QE is a fine chemical identified by CAS number 101858-38-2 and the molecular formula C15H22Cl3N5O11S and a molecular weight of 585.01 g/mol. It is also known as 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride and Ornithine, N(sup 5),N(sup 5)-bis(2-chloroethyl)-, 2,4,6-trinitrobenzenesulfonate, hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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 267.0 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 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 585.0102 g/mol.
What are the applications of 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
AC1MI6QE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI6QE (CAS 101858-38-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-5-(bis(2-chloroethyl)amino)valeric acid picrylsulfonate hydrochloride?
Yes, CoreyChem 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.