Nsc 127755
TL;DR: Nsc 127755 (CAS 36233-19-9) is a chemical compound with molecular formula C23H30Cl2FN5O5S2 and molecular weight 609.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: Dihydrotriazine derivative, DTBSF, 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid, Benzenesulfonyl fluoride, 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)-, monoethanesulfonate, Ethanesulfonic acid, compd. with 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1)
| Molecular Formula | C23H30Cl2FN5O5S2 |
|---|---|
| Molecular Weight | 609.10 g/mol |
| LogP | 4.2966 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 609.1049 |
| Heavy Atoms | 38 |
| Complexity | 938.0 |
| Solubility | TFA > 200 (mg/mL) |
Chemical Identifiers
| CAS Number | 36233-19-9 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C |
| InChIKey | JNVLQWBZTYBYKN-UHFFFAOYSA-N |
Product Overview
Nsc 127755 (CAS 36233-19-9), with molecular formula C23H30Cl2FN5O5S2 and molecular weight 609.10 g/mol. IUPAC: 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of Nsc 127755
Property Insights of Nsc 127755
The XLogP value of 4.2966 indicates that Nsc 127755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting Nsc 127755 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nsc 127755 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nsc 127755?
The CAS number of Nsc 127755 is 36233-19-9.
What is the molecular formula of Nsc 127755?
The molecular formula of Nsc 127755 is C23H30Cl2FN5O5S2.
What is the molecular weight of Nsc 127755?
The molecular weight of Nsc 127755 is 609.10 g/mol.
Where can I buy Nsc 127755?
You can request a quote for Nsc 127755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nsc 127755?
Yes, KEHONG BIO provides custom synthesis services for Nsc 127755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.