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8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione
TL;DR: 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione (CAS 331444-08-7) is a chemical compound with molecular formula C10H6BrN3S and molecular weight 278.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,5-dihydropyrimido[5,4-b]indole-4-thione
Also Known As: BAS 00411450, 6-Bromo-9H-2,4,9-triaza-fluorene-1-thiol, 8-bromo-1,5-dihydropyrimido[5,4-b]indole-4-thione, 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione, 8-bromo-1H,5H-pyrimido[5,4-b]indole-4-thione
| Molecular Formula | C10H6BrN3S |
|---|---|
| Molecular Weight | 278.95 g/mol |
| LogP | 3.53619 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.9466 |
| Heavy Atoms | 15 |
| Complexity | 713.3278 |
Chemical Identifiers
| CAS Number | 331444-08-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C3=C(N2)C(=S)N=CN3 |
Product Overview
8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione (CAS 331444-08-7), with molecular formula C10H6BrN3S and molecular weight 278.95 g/mol. IUPAC: 8-bromo-1,5-dihydropyrimido[5,4-b]indole-4-thione.
Chemical Property Profile of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione
Property Insights of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione
The XLogP value of 3.53619 indicates that 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.47 Ų, 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione 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 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The CAS number of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione is 331444-08-7.
What is the molecular formula of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The molecular formula of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione is C10H6BrN3S.
What is the molecular weight of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The molecular weight of 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione is 278.95 g/mol.
Where can I buy 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione?
You can request a quote for 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.