TW 50
TL;DR: TW 50 (CAS 38931-41-8) is a chemical compound with molecular formula C13H14BrN3O4 and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-bis(aziridin-1-yl)-4-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl carbamate
Also Known As: Tw 50, TW50, 2,5-Cyclohexadiene-1,4-dione, 2-(2-((aminocarbonyl)oxy)ethyl)-3,6-bis(1-aziridinyl)-5-bromo-, 2-[2,5-bis(aziridin-1-yl)-4-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl carbamate, 3-Bromo-6-[2-(carbamoyloxy)ethyl]-2,5-di(aziridin-1-yl)-1,4-benzoquinone
| Molecular Formula | C13H14BrN3O4 |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.01678 |
| Heavy Atoms | 21 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 38931-41-8 |
|---|---|
| SMILES | C1CN1C2=C(C(=O)C(=C(C2=O)Br)N3CC3)CCOC(=O)N |
| InChIKey | YYSNCOVRWLBFEW-UHFFFAOYSA-N |
Product Overview
TW 50 (CAS 38931-41-8), with molecular formula C13H14BrN3O4 and molecular weight 355.02 g/mol. IUPAC: 2-[2,5-bis(aziridin-1-yl)-4-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl carbamate.
Chemical Property Profile of TW 50
Property Insights of TW 50
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TW 50. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for TW 50. Following Lipinski's Rule of Five, TW 50 has 1 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 TW 50?
The CAS number of TW 50 is 38931-41-8.
What is the molecular formula of TW 50?
The molecular formula of TW 50 is C13H14BrN3O4.
What is the molecular weight of TW 50?
The molecular weight of TW 50 is 355.02 g/mol.
Where can I buy TW 50?
You can request a quote for TW 50 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TW 50?
Yes, KEHONG BIO provides custom synthesis services for TW 50 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.