6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-
TL;DR: 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- (CAS 139156-99-3) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbothioamide
Also Known As: 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-, 5,6-Trimethylene-7-thiocarbamoyl-4-phenylpyrrolo(3,2-d)pyrimidine, 7,8-Dihydro-4-phenyl-6H-pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 4-phenyl-6H,7H,8H-pyrimido[4,5-b]pyrrolizine-9-carbothioamide, 4-Phenyl-7,8-dihydro-9-thiocarbamoyl-6H-pyrimido[4,5-b]pyrrolidine
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.6787 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 851.58954 |
Chemical Identifiers
| CAS Number | 139156-99-3 |
|---|---|
| SMILES | C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C(=S)N |
Product Overview
6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- (CAS 139156-99-3), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbothioamide.
Chemical Property Profile of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-
Property Insights of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-
The XLogP value of 2.6787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-. With a topological polar surface area (TPSA) of 56.73 Ų, 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- has 1 hydrogen bond donor(s) and 3 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 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-?
The CAS number of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- is 139156-99-3.
What is the molecular formula of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-?
The molecular formula of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- is C16H14N4S.
What is the molecular weight of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-?
The molecular weight of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- is 294.09 g/mol.
Where can I buy 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-?
You can request a quote for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.