![1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide structure](/static/products/260/26050-22-6.png)
1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide
TL;DR: 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide (CAS 26050-22-6) is a chemical compound with molecular formula C18H29Cl2N5S and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-3-[3-(dimethylamino)propyl]thiourea
Also Known As: 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide, 1-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-3-[3-(dimethylamino)propyl]thiourea
| Molecular Formula | C18H29Cl2N5S |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 3.02872 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 417.15207 |
| Heavy Atoms | 26 |
| Complexity | 574.69995 |
Chemical Identifiers
| CAS Number | 26050-22-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=S)NCCCN(C)C |
Product Overview
1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide (CAS 26050-22-6), with molecular formula C18H29Cl2N5S and molecular weight 417.15 g/mol. IUPAC: 1-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-3-[3-(dimethylamino)propyl]thiourea.
Chemical Property Profile of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide
Property Insights of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide
The XLogP value of 3.02872 indicates that 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.9 Ų, 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide 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 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide?
The CAS number of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide is 26050-22-6.
What is the molecular formula of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide?
The molecular formula of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide is C18H29Cl2N5S.
What is the molecular weight of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide?
The molecular weight of 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide is 417.15 g/mol.
Where can I buy 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide?
You can request a quote for 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.