EINECS 245-670-7
TL;DR: EINECS 245-670-7 (CAS 23455-88-1) is a chemical compound with molecular formula C26H42FN5O3S2 and molecular weight 555.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride
Also Known As: EINECS 245-670-7, 4-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride, m-((((3-Heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino)carbonyl)amino)benzenesulphonyl fluoride, N-[4-(Fluorosulfonyl)phenyl]-N'-(3-heptadecyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)carbamimidic acid
| Molecular Formula | C26H42FN5O3S2 |
|---|---|
| Molecular Weight | 555.27 g/mol |
| LogP | 7.78839 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 555.2713 |
| Heavy Atoms | 37 |
| Complexity | 1084.377 |
Chemical Identifiers
| CAS Number | 23455-88-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NNC(=S)N1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F |
Product Overview
EINECS 245-670-7 (CAS 23455-88-1), with molecular formula C26H42FN5O3S2 and molecular weight 555.27 g/mol. IUPAC: 4-[(3-heptadecyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of EINECS 245-670-7
Property Insights of EINECS 245-670-7
The XLogP value of 7.78839 indicates that EINECS 245-670-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 245-670-7. Following Lipinski's Rule of Five, EINECS 245-670-7 has 3 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 EINECS 245-670-7?
The CAS number of EINECS 245-670-7 is 23455-88-1.
What is the molecular formula of EINECS 245-670-7?
The molecular formula of EINECS 245-670-7 is C26H42FN5O3S2.
What is the molecular weight of EINECS 245-670-7?
The molecular weight of EINECS 245-670-7 is 555.27 g/mol.
Where can I buy EINECS 245-670-7?
You can request a quote for EINECS 245-670-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 245-670-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 245-670-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.