Dibromophakellstatine
TL;DR: Dibromophakellstatine (CAS 185750-71-4) is a chemical compound with molecular formula C11H10Br2N4O2 and molecular weight 387.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-3,11-dione
Also Known As: Dibromophakellstatin, Dibromophakellstatine, 4H,8H-Imidazo(4,5-b)dipyrrolo(1,2-a:1',2'-d)pyrazine-2,8(3H)-dione, 10,11-dibromo-1,5,6,12a-tetrahydro-, (3aR,12aS)-, 4H,8H-Imidazo(4,5-b)dipyrrolo(1,2-a:1',2'-d)pyrazine-2,8(3H)-dione, 10,11-dibromo-1,5,6,12a-tetrahydro-, (3aR-(3aR*,12aS*))-, (12aS)-10,11-Dibromo-2-hydroxy-3,5,6,12a-tetrahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1',2'-d]pyrazin-8-one
| Molecular Formula | C11H10Br2N4O2 |
|---|---|
| Molecular Weight | 387.92 g/mol |
| LogP | 1.7704 |
| Topological Polar Surface Area | 66.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 387.91705 |
| Heavy Atoms | 19 |
| Complexity | 628.45654 |
Chemical Identifiers
| CAS Number | 185750-71-4 |
|---|---|
| SMILES | C1CC23[C@@H](NC(=O)N2)N4C(=CC(=C4Br)Br)C(=O)N3C1 |
Product Overview
Dibromophakellstatine (CAS 185750-71-4), with molecular formula C11H10Br2N4O2 and molecular weight 387.92 g/mol. IUPAC: (5S)-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-diene-3,11-dione.
Chemical Property Profile of Dibromophakellstatine
Property Insights of Dibromophakellstatine
The XLogP value of 1.7704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromophakellstatine. The TPSA of 66.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibromophakellstatine. Following Lipinski's Rule of Five, Dibromophakellstatine has 2 hydrogen bond donor(s) and 2 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 Dibromophakellstatine?
The CAS number of Dibromophakellstatine is 185750-71-4.
What is the molecular formula of Dibromophakellstatine?
The molecular formula of Dibromophakellstatine is C11H10Br2N4O2.
What is the molecular weight of Dibromophakellstatine?
The molecular weight of Dibromophakellstatine is 387.92 g/mol.
Where can I buy Dibromophakellstatine?
You can request a quote for Dibromophakellstatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromophakellstatine?
Yes, KEHONG BIO provides custom synthesis services for Dibromophakellstatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.