BIM-0034434.P001
TL;DR: BIM-0034434.P001 (CAS 1334432-17-5) is a chemical compound with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0034434.P001, AB00098053-01, (5Z)-1-(4-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (z)-1-(4-chlorophenyl)-5-((1-methyl-1h-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione, (5Z)-1-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H12ClN3O2S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 2.5098 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.03387 |
| Heavy Atoms | 23 |
| Complexity | 839.2652 |
Chemical Identifiers
| CAS Number | 1334432-17-5 |
|---|---|
| SMILES | CN1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
BIM-0034434.P001 (CAS 1334432-17-5), with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol. IUPAC: (5Z)-1-(4-chlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0034434.P001
Property Insights of BIM-0034434.P001
The XLogP value of 2.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0034434.P001. With a topological polar surface area (TPSA) of 54.34 Ų, BIM-0034434.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0034434.P001 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 BIM-0034434.P001?
The CAS number of BIM-0034434.P001 is 1334432-17-5.
What is the molecular formula of BIM-0034434.P001?
The molecular formula of BIM-0034434.P001 is C16H12ClN3O2S.
What is the molecular weight of BIM-0034434.P001?
The molecular weight of BIM-0034434.P001 is 345.03 g/mol.
Where can I buy BIM-0034434.P001?
You can request a quote for BIM-0034434.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0034434.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0034434.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.