BIM-0042911.P001
TL;DR: BIM-0042911.P001 (CAS 6054-44-0) is a chemical compound with molecular formula C14H15ClN4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea
Also Known As: BIM-0042911.P001, (2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide, [(E)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea, 1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde thiosemicarbazone, (2E)-2-{[1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazine-1-carbothioamide
| Molecular Formula | C14H15ClN4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.91464 |
| Topological Polar Surface Area | 55.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0706 |
| Heavy Atoms | 20 |
| Complexity | 675.8086 |
Chemical Identifiers
| CAS Number | 6054-44-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=N/NC(=S)N |
Product Overview
BIM-0042911.P001 (CAS 6054-44-0), with molecular formula C14H15ClN4S and molecular weight 306.07 g/mol. IUPAC: [(E)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea.
Chemical Property Profile of BIM-0042911.P001
Property Insights of BIM-0042911.P001
The XLogP value of 2.91464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0042911.P001. With a topological polar surface area (TPSA) of 55.34 Ų, BIM-0042911.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0042911.P001 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 BIM-0042911.P001?
The CAS number of BIM-0042911.P001 is 6054-44-0.
What is the molecular formula of BIM-0042911.P001?
The molecular formula of BIM-0042911.P001 is C14H15ClN4S.
What is the molecular weight of BIM-0042911.P001?
The molecular weight of BIM-0042911.P001 is 306.07 g/mol.
Where can I buy BIM-0042911.P001?
You can request a quote for BIM-0042911.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042911.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042911.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.