BAS 01044538
TL;DR: BAS 01044538 (CAS 499987-27-8) is a chemical compound with molecular formula C16H16BrN3OS and molecular weight 377.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
Also Known As: BAS 01044538, 1-(5-bromo-2-thienyl)-2-(2-imino-3-propyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanone, AE-848/36049011, 1-(5-bromothiophen-2-yl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
| Molecular Formula | C16H16BrN3OS |
|---|---|
| Molecular Weight | 377.02 g/mol |
| LogP | 4.03917 |
| Topological Polar Surface Area | 50.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.01974 |
| Heavy Atoms | 22 |
| Complexity | 890.31335 |
Chemical Identifiers
| CAS Number | 499987-27-8 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(S3)Br |
Product Overview
BAS 01044538 (CAS 499987-27-8), with molecular formula C16H16BrN3OS and molecular weight 377.02 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone.
Chemical Property Profile of BAS 01044538
Property Insights of BAS 01044538
The XLogP value of 4.03917 indicates that BAS 01044538 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.78 Ų, BAS 01044538 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01044538 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 BAS 01044538?
The CAS number of BAS 01044538 is 499987-27-8.
What is the molecular formula of BAS 01044538?
The molecular formula of BAS 01044538 is C16H16BrN3OS.
What is the molecular weight of BAS 01044538?
The molecular weight of BAS 01044538 is 377.02 g/mol.
Where can I buy BAS 01044538?
You can request a quote for BAS 01044538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01044538?
Yes, KEHONG BIO provides custom synthesis services for BAS 01044538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.