乙溴替丁S,S-二氧化物
TL;DR: 乙溴替丁S,S-二氧化物 (CAS 152675-29-1) is a chemical compound with molecular formula C14H17BrN6O4S3 and molecular weight 507.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙溴替丁S,S-二氧化物
N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]methanimidamide
Also Known As: Ebrotidine S,S-dioxide, N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]methanimidamide, 4-Bromo-N-[[[2-[[2-[(diaminomethylene)amino]-4-thiazolyl]methylsulfonyl]ethyl]amino]methylene]benzenesulfonamide, 4-Bromo-N-[2-[[2-[(diaminomethylene)amino]thiazole-4-yl]methylsulfonyl]ethylaminomethylene]benzenesulfonamide, Benzenesulfonamide, N-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)sulfonyl)ethyl)amino)methylene)-4-bromo-
| Molecular Formula | C14H17BrN6O4S3 |
|---|---|
| Molecular Weight | 507.97 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.96567 |
| Heavy Atoms | 28 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 152675-29-1 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC=NCCS(=O)(=O)CC2=CSC(=N2)N=C(N)N)Br |
| InChIKey | JFIWRQSYBXTJRY-UHFFFAOYSA-N |
Product Overview
乙溴替丁S,S-二氧化物 (CAS 152675-29-1), with molecular formula C14H17BrN6O4S3 and molecular weight 507.97 g/mol. IUPAC: N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]methanimidamide.
Chemical Property Profile of 乙溴替丁S,S-二氧化物
Property Insights of 乙溴替丁S,S-二氧化物
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙溴替丁S,S-二氧化物. The TPSA of 215.0 Ų indicates high polarity, suggesting 乙溴替丁S,S-二氧化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙溴替丁S,S-二氧化物 has 3 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 乙溴替丁S,S-二氧化物?
The CAS number of 乙溴替丁S,S-二氧化物 is 152675-29-1.
What is the molecular formula of 乙溴替丁S,S-二氧化物?
The molecular formula of 乙溴替丁S,S-二氧化物 is C14H17BrN6O4S3.
What is the molecular weight of 乙溴替丁S,S-二氧化物?
The molecular weight of 乙溴替丁S,S-二氧化物 is 507.97 g/mol.
Where can I buy 乙溴替丁S,S-二氧化物?
You can request a quote for 乙溴替丁S,S-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙溴替丁S,S-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 乙溴替丁S,S-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.