萘氮芥
TL;DR: 萘氮芥 (CAS 494-03-1) is a chemical compound with molecular formula C14H15Cl2N and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘氮芥
N,N-bis(2-chloroethyl)naphthalen-2-amine
Also Known As: Chlornaphazine, Cloronaftina, Chloronaphthina, Chloronaphthine, Erysan
| Molecular Formula | C14H15Cl2N |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.05817 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
| Melting Point | 129 to 56.1 °C |
| Boiling Point | 210.0 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 494-03-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl |
| InChIKey | XCDXSSFOJZZGQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萘氮芥 (CAS 494-03-1), with molecular formula C14H15Cl2N and molecular weight 267.06 g/mol. IUPAC: N,N-bis(2-chloroethyl)naphthalen-2-amine.
Chemical Property Profile of 萘氮芥
Property Insights of 萘氮芥
The XLogP value of 4.5 indicates that 萘氮芥 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 萘氮芥 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 萘氮芥 has 0 hydrogen bond donor(s) and 1 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 萘氮芥?
The CAS number of 萘氮芥 is 494-03-1.
What is the molecular formula of 萘氮芥?
The molecular formula of 萘氮芥 is C14H15Cl2N.
What is the molecular weight of 萘氮芥?
The molecular weight of 萘氮芥 is 267.06 g/mol.
Where can I buy 萘氮芥?
You can request a quote for 萘氮芥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘氮芥?
Yes, KEHONG BIO provides custom synthesis services for 萘氮芥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.