C13H13BrN2OS2
TL;DR: C13H13BrN2OS2 (CAS 284687-87-2) is a chemical compound with molecular formula C13H13BrN2OS2 and molecular weight 355.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-8-one
Also Known As: 1-Bromomethyl-1,2,6,7,8,9-hexahydro-3,10-dithia-4,10b-diaza-cyclopenta[a]fluoren-5-one, 1-(bromomethyl)-1,2,6,7,8,9-hexahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one, 1-(bromomethyl)-6,7,8,9,11-pentahydro-1H,2H-benzo[b]thiopheno[3,2-e]1,3-thiazo lidino[3,2-a]pyrimidin-5-one, 1-(bromomethyl)-6,7,8,9-tetrahydro-1H-benzo[4,5]thieno[3,2-e]thiazolo[3,2-a]pyrimidin-5(2H)-one, C13H13BrN2OS2
| Molecular Formula | C13H13BrN2OS2 |
|---|---|
| Molecular Weight | 355.97 g/mol |
| LogP | 3.3785 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.96527 |
| Heavy Atoms | 19 |
| Complexity | 721.482 |
Chemical Identifiers
| CAS Number | 284687-87-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(CSC4=NC3=O)CBr |
Product Overview
C13H13BrN2OS2 (CAS 284687-87-2), with molecular formula C13H13BrN2OS2 and molecular weight 355.97 g/mol. IUPAC: 3-(bromomethyl)-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-8-one.
Chemical Property Profile of C13H13BrN2OS2
Property Insights of C13H13BrN2OS2
The XLogP value of 3.3785 indicates that C13H13BrN2OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, C13H13BrN2OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H13BrN2OS2 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 C13H13BrN2OS2?
The CAS number of C13H13BrN2OS2 is 284687-87-2.
What is the molecular formula of C13H13BrN2OS2?
The molecular formula of C13H13BrN2OS2 is C13H13BrN2OS2.
What is the molecular weight of C13H13BrN2OS2?
The molecular weight of C13H13BrN2OS2 is 355.97 g/mol.
Where can I buy C13H13BrN2OS2?
You can request a quote for C13H13BrN2OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H13BrN2OS2?
Yes, KEHONG BIO provides custom synthesis services for C13H13BrN2OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.