Hydroquinone mustard
TL;DR: Hydroquinone mustard (CAS 4420-79-5) is a chemical compound with molecular formula C16H24Cl4N2O2 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis[bis(2-chloroethyl)aminomethyl]benzene-1,4-diol
Also Known As: Hydroquinone mustard, Weatherbee mustard, Hydroquinone,, CWM 97A, SKI 23325
| Molecular Formula | C16H24Cl4N2O2 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 418.05624 |
| Heavy Atoms | 24 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 4420-79-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1O)CN(CCCl)CCCl)O)CN(CCCl)CCCl |
| InChIKey | QWFHTWGSBNHWBX-UHFFFAOYSA-N |
Product Overview
Hydroquinone mustard (CAS 4420-79-5), with molecular formula C16H24Cl4N2O2 and molecular weight 416.06 g/mol. IUPAC: 2,5-bis[bis(2-chloroethyl)aminomethyl]benzene-1,4-diol.
Chemical Property Profile of Hydroquinone mustard
Property Insights of Hydroquinone mustard
The XLogP value of 3.2 indicates that Hydroquinone mustard is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, Hydroquinone mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroquinone mustard 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 Hydroquinone mustard?
The CAS number of Hydroquinone mustard is 4420-79-5.
What is the molecular formula of Hydroquinone mustard?
The molecular formula of Hydroquinone mustard is C16H24Cl4N2O2.
What is the molecular weight of Hydroquinone mustard?
The molecular weight of Hydroquinone mustard is 416.06 g/mol.
Where can I buy Hydroquinone mustard?
You can request a quote for Hydroquinone mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroquinone mustard?
Yes, KEHONG BIO provides custom synthesis services for Hydroquinone mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.