BH3I-1
TL;DR: BH3I-1 (CAS 1122565-91-6) is a chemical compound with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: BH3I-1, BH3I-1 cpd, BHI 1, BHI1;BH 3I1, BH3I 1
| Molecular Formula | C15H14BrNO3S2 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 3.7595 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.95984 |
| Heavy Atoms | 22 |
| Complexity | 655.25635 |
Chemical Identifiers
| CAS Number | 1122565-91-6 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)Br)/SC1=S |
Product Overview
BH3I-1 (CAS 1122565-91-6), with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol. IUPAC: 2-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of BH3I-1
Property Insights of BH3I-1
The XLogP value of 3.7595 indicates that BH3I-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BH3I-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BH3I-1 has 1 hydrogen bond donor(s) and 4 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 BH3I-1?
The CAS number of BH3I-1 is 1122565-91-6.
What is the molecular formula of BH3I-1?
The molecular formula of BH3I-1 is C15H14BrNO3S2.
What is the molecular weight of BH3I-1?
The molecular weight of BH3I-1 is 398.96 g/mol.
Where can I buy BH3I-1?
You can request a quote for BH3I-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BH3I-1?
Yes, KEHONG BIO provides custom synthesis services for BH3I-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.