BE 18591
TL;DR: BE 18591 (CAS 147138-01-0) is a chemical compound with molecular formula C22H35N3O and molecular weight 357.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
Also Known As: BE 18591, HY-N10155A, (Z)-N-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-1-dodecanamine, N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine, 1-Dodecanamine, N-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-, (Z)-
| Molecular Formula | C22H35N3O |
|---|---|
| Molecular Weight | 357.28 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 357.278 |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 147138-01-0 |
|---|---|
| SMILES | CCCCCCCCCCCCN=CC1=C(C=C(N1)C2=CC=CN2)OC |
| InChIKey | YGDMZCDTTXTBHS-UHFFFAOYSA-N |
Product Overview
BE 18591 (CAS 147138-01-0), with molecular formula C22H35N3O and molecular weight 357.28 g/mol. IUPAC: N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine.
Chemical Property Profile of BE 18591
Property Insights of BE 18591
The XLogP value of 6.7 indicates that BE 18591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, BE 18591 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BE 18591 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BE 18591?
The CAS number of BE 18591 is 147138-01-0.
What is the molecular formula of BE 18591?
The molecular formula of BE 18591 is C22H35N3O.
What is the molecular weight of BE 18591?
The molecular weight of BE 18591 is 357.28 g/mol.
Where can I buy BE 18591?
You can request a quote for BE 18591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BE 18591?
Yes, KEHONG BIO provides custom synthesis services for BE 18591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.