BIM-0029998.P001
TL;DR: BIM-0029998.P001 (CAS 333352-97-9) is a chemical compound with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: BIM-0029998.P001, (5Z)-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-1-allyl-5-((((5-hydroxy-1,3,3-trimethylcyclohexyl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-allyl-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-({[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H27N3O3S |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 2.79369 |
| Topological Polar Surface Area | 90.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1773 |
| Heavy Atoms | 25 |
| Complexity | 793.7365 |
Chemical Identifiers
| CAS Number | 333352-97-9 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=CC2=C(N(C(=S)NC2=O)CC=C)O)O)C |
Product Overview
BIM-0029998.P001 (CAS 333352-97-9), with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol. IUPAC: 6-hydroxy-5-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of BIM-0029998.P001
Property Insights of BIM-0029998.P001
The XLogP value of 2.79369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0029998.P001. The TPSA of 90.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0029998.P001. Following Lipinski's Rule of Five, BIM-0029998.P001 has 3 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 BIM-0029998.P001?
The CAS number of BIM-0029998.P001 is 333352-97-9.
What is the molecular formula of BIM-0029998.P001?
The molecular formula of BIM-0029998.P001 is C18H27N3O3S.
What is the molecular weight of BIM-0029998.P001?
The molecular weight of BIM-0029998.P001 is 365.18 g/mol.
Where can I buy BIM-0029998.P001?
You can request a quote for BIM-0029998.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029998.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029998.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.