Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone
TL;DR: Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone (CAS 132778-84-8) is a chemical compound with molecular formula C15H15Cl2NO3 and molecular weight 327.0429 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-chloroethyl)aminomethyl]-4-hydroxynaphthalene-1,2-dione
Also Known As: NCI60_002775, Q112 2-(BIS(2-CHLOROETHYL)AMINOMETHYL)-3-HYDROXY-1,4-NAPHTHOQUINONE, 3-[bis(2-chloroethyl)aminomethyl]-4-hydroxynaphthalene-1,2-dione, 3-{[bis(2-chloroethyl)amino]methyl}-4-hydroxynaphthalene-1,2-dione, 661-667-7
Technical Specifications
| Molecular Formula | C15H15Cl2NO3 |
| Molecular Weight | 327.0429 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.0429 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CN(CCCl)CCCl)O |
| InChIKey | BFVCSGYCKMCYOP-UHFFFAOYSA-N |
Chemical Property Profile of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone
Property Insights of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 57.6 Ų, Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone?
The CAS number of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone is 132778-84-8.
What is the molecular formula of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone?
The molecular formula of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone is C15H15Cl2NO3.
What is the molecular weight of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone?
The molecular weight of Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone is 327.0429 g/mol.
Where can I buy Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone?
You can request a quote for Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.