4-N-bis(2-chloroethyl)aminobenzoylglutamic acid
TL;DR: 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid (CAS 3086-06-4) is a chemical compound with molecular formula C16H20Cl2N2O5 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid
Also Known As: Cab-glutamic acid, 4-N-Bis(2-chloroethyl)aminobenzoylglutamic acid, 4-(bis(2-chloroethyl)amino) benzoyl-l-glutamic acid, N-{4-[Bis(2-chloroethyl)amino]benzoyl}glutamic acid, N-[4-[Bis(2-chloroethyl)amino]benzoyl]-L-glutamic acid
| Molecular Formula | C16H20Cl2N2O5 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.07492 |
| Heavy Atoms | 25 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 3086-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCl)CCCl |
| InChIKey | LRCUUYWRKCVRFZ-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-N-bis(2-chloroethyl)aminobenzoylglutamic acid (CAS 3086-06-4), with molecular formula C16H20Cl2N2O5 and molecular weight 390.07 g/mol. IUPAC: (2S)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid
Property Insights of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid. Following Lipinski's Rule of Five, 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid has 3 hydrogen bond donor(s) and 6 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 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid?
The CAS number of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid is 3086-06-4.
What is the molecular formula of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid?
The molecular formula of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid is C16H20Cl2N2O5.
What is the molecular weight of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid?
The molecular weight of 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid is 390.07 g/mol.
Where can I buy 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid?
You can request a quote for 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-N-bis(2-chloroethyl)aminobenzoylglutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.