J2.982.845H
TL;DR: J2.982.845H (CAS 802-58-4) is a chemical compound with molecular formula C18H18Cl2N4S and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Also Known As: J2.982.845H, 1-(2,3-Dihydrobenzothiazole-2-ylidene)-2-[4-[bis(2-chloroethyl)amino]benzylidene]hydrazine, 4-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}-N,N-bis(2-chloroethyl)aniline, N,N-bis(2-chloroethyl)-4-{[2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazin-1-ylidene]methyl}aniline
| Molecular Formula | C18H18Cl2N4S |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 5.0263 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.06293 |
| Heavy Atoms | 25 |
| Complexity | 793.46814 |
Chemical Identifiers
| CAS Number | 802-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl |
Product Overview
J2.982.845H (CAS 802-58-4), with molecular formula C18H18Cl2N4S and molecular weight 392.06 g/mol. IUPAC: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-benzothiazol-2-amine.
Chemical Property Profile of J2.982.845H
Property Insights of J2.982.845H
The XLogP value of 5.0263 indicates that J2.982.845H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.52 Ų, J2.982.845H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.982.845H has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.982.845H?
The CAS number of J2.982.845H is 802-58-4.
What is the molecular formula of J2.982.845H?
The molecular formula of J2.982.845H is C18H18Cl2N4S.
What is the molecular weight of J2.982.845H?
The molecular weight of J2.982.845H is 392.06 g/mol.
Where can I buy J2.982.845H?
You can request a quote for J2.982.845H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.982.845H?
Yes, KEHONG BIO provides custom synthesis services for J2.982.845H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.