RefChem:120362
TL;DR: RefChem:120362 (CAS 54830-47-6) is a chemical compound with molecular formula C17H13BrN2S2 and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,21-dithia-14-aza-11-azoniapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-1,3(11),5,7,9,15,17,19-octaene bromide
Also Known As: 13,14-Dihydrobisbenzothiazolo(3,2-d:2',3'-g)(1,4)diazepin-12-ium bromide, Bisbenzothiazolo(3,2-d:2',3'-g)(1,4)diazepin-12-ium, 13,14-dihydro-, bromide, 13,14-dihydro[1,3]benzothiazolo[3',2':4,5][1,4]diazepino[7,1-b][1,3]benzothiazol-12-ium bromide, Bisbenzothiazolo(3,2-d:2',3'-g)(1,4)diazepin-12-ium, 13,14-dihydro-, bromide (1:1), Bisbenzothiazolo[3,2-d:2',3'-g][1,4]diazepin-12-ium, 13,14-dihydro-, bromide
| Molecular Formula | C17H13BrN2S2 |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 1.12 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 387.97034 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 54830-47-6 |
|---|---|
| SMILES | C1C[N+]2=C(C=C3N1C4=CC=CC=C4S3)SC5=CC=CC=C52.[Br-] |
| InChIKey | GOALYCOKLUSVFO-UHFFFAOYSA-M |
Product Overview
RefChem:120362 (CAS 54830-47-6), with molecular formula C17H13BrN2S2 and molecular weight 387.97 g/mol. IUPAC: 4,21-dithia-14-aza-11-azoniapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-1,3(11),5,7,9,15,17,19-octaene bromide.
Chemical Property Profile of RefChem:120362
Property Insights of RefChem:120362
The XLogP value of 1.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:120362. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:120362. Following Lipinski's Rule of Five, RefChem:120362 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:120362?
The CAS number of RefChem:120362 is 54830-47-6.
What is the molecular formula of RefChem:120362?
The molecular formula of RefChem:120362 is C17H13BrN2S2.
What is the molecular weight of RefChem:120362?
The molecular weight of RefChem:120362 is 387.97 g/mol.
Where can I buy RefChem:120362?
You can request a quote for RefChem:120362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:120362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:120362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.