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3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione
TL;DR: 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione (CAS 107400-98-6) is a chemical compound with molecular formula C10H7N3S and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dihydropyrimido[5,4-b]indole-4-thione
Also Known As: 3,5-dihydro-4H-pyrimido[5,4-b]indole-4-thione, 5H-pyrimido[5,4-b]indole-4-thiol, 9H-2,4,9-Triaza-fluorene-1-thiol, 1,5-dihydropyrimido[5,4-b]indole-4-thione, 3H,4H,5H-pyrimido[5,4-b]indole-4-thione
| Molecular Formula | C10H7N3S |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.77369 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.03607 |
| Heavy Atoms | 14 |
| Complexity | 665.4895 |
Chemical Identifiers
| CAS Number | 107400-98-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=S)N=CN3 |
Product Overview
3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione (CAS 107400-98-6), with molecular formula C10H7N3S and molecular weight 201.04 g/mol. IUPAC: 1,5-dihydropyrimido[5,4-b]indole-4-thione.
Chemical Property Profile of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione
Property Insights of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione
The XLogP value of 2.77369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione. With a topological polar surface area (TPSA) of 44.47 Ų, 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, 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 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The CAS number of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione is 107400-98-6.
What is the molecular formula of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The molecular formula of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione is C10H7N3S.
What is the molecular weight of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione?
The molecular weight of 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione is 201.04 g/mol.
Where can I buy 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione?
You can request a quote for 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 3,5-Dihydro-4H-pyrimido[5,4-b]indole-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 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.