C20H13BrN2O3S2
TL;DR: C20H13BrN2O3S2 (CAS 1005035-94-8) is a chemical compound with molecular formula C20H13BrN2O3S2 and molecular weight 471.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: AP-906/41649301, 6-(4-bromophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 5-(4-bromophenyl)-8-phenyl-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3,7>]dodec-1 (9)-ene-4,6,11-trione, 6-(4-bromophenyl)-8-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione, C20H13BrN2O3S2
| Molecular Formula | C20H13BrN2O3S2 |
|---|---|
| Molecular Weight | 471.96 g/mol |
| LogP | 3.9947 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.9551 |
| Heavy Atoms | 28 |
| Complexity | 1140.2625 |
Chemical Identifiers
| CAS Number | 1005035-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5 |
Product Overview
C20H13BrN2O3S2 (CAS 1005035-94-8), with molecular formula C20H13BrN2O3S2 and molecular weight 471.96 g/mol. IUPAC: 11-(4-bromophenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of C20H13BrN2O3S2
Property Insights of C20H13BrN2O3S2
The XLogP value of 3.9947 indicates that C20H13BrN2O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H13BrN2O3S2. Following Lipinski's Rule of Five, C20H13BrN2O3S2 has 1 hydrogen bond donor(s) and 5 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 C20H13BrN2O3S2?
The CAS number of C20H13BrN2O3S2 is 1005035-94-8.
What is the molecular formula of C20H13BrN2O3S2?
The molecular formula of C20H13BrN2O3S2 is C20H13BrN2O3S2.
What is the molecular weight of C20H13BrN2O3S2?
The molecular weight of C20H13BrN2O3S2 is 471.96 g/mol.
Where can I buy C20H13BrN2O3S2?
You can request a quote for C20H13BrN2O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H13BrN2O3S2?
Yes, KEHONG BIO provides custom synthesis services for C20H13BrN2O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.