EINECS 304-503-9
TL;DR: EINECS 304-503-9 (CAS 94276-17-2) is a chemical compound with molecular formula C22H31ClN6S and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-4-[[4-[4-(dimethylamino)butan-2-ylamino]phenyl]diazenyl]phenyl]-trimethylazanium thiocyanate
Also Known As: EINECS 304-503-9, [3-chloro-4-[[4-[4-(dimethylamino)butan-2-ylamino]phenyl]diazenyl]phenyl]-trimethylazanium thiocyanate, [3-chloro-4-[4-(4-dimethylaminobutan-2-ylamino)phenyl]diazenyl-phenyl]-trimethyl-azanium thiocyanate
| Molecular Formula | C22H31ClN6S |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 5.71858 |
| Topological Polar Surface Area | 63.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.20193 |
| Heavy Atoms | 30 |
| Complexity | 853.412 |
Chemical Identifiers
| CAS Number | 94276-17-2 |
|---|---|
| SMILES | CC(CCN(C)C)NC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](C)(C)C)Cl.C(#N)[S-] |
Product Overview
EINECS 304-503-9 (CAS 94276-17-2), with molecular formula C22H31ClN6S and molecular weight 446.20 g/mol. IUPAC: [3-chloro-4-[[4-[4-(dimethylamino)butan-2-ylamino]phenyl]diazenyl]phenyl]-trimethylazanium thiocyanate.
Chemical Property Profile of EINECS 304-503-9
Property Insights of EINECS 304-503-9
The XLogP value of 5.71858 indicates that EINECS 304-503-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 304-503-9. Following Lipinski's Rule of Five, EINECS 304-503-9 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 304-503-9?
The CAS number of EINECS 304-503-9 is 94276-17-2.
What is the molecular formula of EINECS 304-503-9?
The molecular formula of EINECS 304-503-9 is C22H31ClN6S.
What is the molecular weight of EINECS 304-503-9?
The molecular weight of EINECS 304-503-9 is 446.20 g/mol.
Where can I buy EINECS 304-503-9?
You can request a quote for EINECS 304-503-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 304-503-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 304-503-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.