Ts 72
TL;DR: Ts 72 (CAS 80497-41-2) is a chemical compound with molecular formula C21H24Cl2N2O3 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid
Also Known As: Ts 72, Ts72, N-(p-Di(2-chloroethyl)aminophenylbutyryl)-p-aminobenzoic acid, 4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid, 4-(4-{4-[bis(2-chloroethyl)amino]phenyl}butanamido)benzoic acid
| Molecular Formula | C21H24Cl2N2O3 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.1164 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 80497-41-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl |
| InChIKey | YUBXXCXMEWHANB-UHFFFAOYSA-N |
Product Overview
Ts 72 (CAS 80497-41-2), with molecular formula C21H24Cl2N2O3 and molecular weight 422.12 g/mol. IUPAC: 4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid.
Chemical Property Profile of Ts 72
Property Insights of Ts 72
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ts 72. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ts 72. Following Lipinski's Rule of Five, Ts 72 has 2 hydrogen bond donor(s) and 4 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 Ts 72?
The CAS number of Ts 72 is 80497-41-2.
What is the molecular formula of Ts 72?
The molecular formula of Ts 72 is C21H24Cl2N2O3.
What is the molecular weight of Ts 72?
The molecular weight of Ts 72 is 422.12 g/mol.
Where can I buy Ts 72?
You can request a quote for Ts 72 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ts 72?
Yes, KEHONG BIO provides custom synthesis services for Ts 72 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.