Replaced CAS registry number(s): 50699-30-4
TL;DR: Replaced CAS registry number(s): 50699-30-4 (CAS 19159-37-6) is a chemical compound with molecular formula C21H28FN7O6S2 and molecular weight 557.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: Replaced CAS registry number(s): 50699-30-4, ethanesulfonic acid- 3-({[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]carbamoyl}amino)benzenesulfonyl fluoride(1:1), 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me, 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; ethanesulfonic acid, Benzenesulfonyl fluoride, 3-[[[[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl]amino]carbonyl]amino]-, monoethanesulfonate
| Molecular Formula | C21H28FN7O6S2 |
|---|---|
| Molecular Weight | 557.15 g/mol |
| LogP | 1.7461 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.15265 |
| Heavy Atoms | 37 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 19159-37-6 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C |
| InChIKey | LHHLVYCSUKGAOS-UHFFFAOYSA-N |
Product Overview
Replaced CAS registry number(s): 50699-30-4 (CAS 19159-37-6), with molecular formula C21H28FN7O6S2 and molecular weight 557.15 g/mol. IUPAC: 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of Replaced CAS registry number(s): 50699-30-4
Property Insights of Replaced CAS registry number(s): 50699-30-4
The XLogP value of 1.7461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Replaced CAS registry number(s): 50699-30-4. The TPSA of 226.0 Ų indicates high polarity, suggesting Replaced CAS registry number(s): 50699-30-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Replaced CAS registry number(s): 50699-30-4 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Replaced CAS registry number(s): 50699-30-4?
The CAS number of Replaced CAS registry number(s): 50699-30-4 is 19159-37-6.
What is the molecular formula of Replaced CAS registry number(s): 50699-30-4?
The molecular formula of Replaced CAS registry number(s): 50699-30-4 is C21H28FN7O6S2.
What is the molecular weight of Replaced CAS registry number(s): 50699-30-4?
The molecular weight of Replaced CAS registry number(s): 50699-30-4 is 557.15 g/mol.
Where can I buy Replaced CAS registry number(s): 50699-30-4?
You can request a quote for Replaced CAS registry number(s): 50699-30-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Replaced CAS registry number(s): 50699-30-4?
Yes, KEHONG BIO provides custom synthesis services for Replaced CAS registry number(s): 50699-30-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.