BAS 00379911
TL;DR: BAS 00379911 (CAS 298205-32-0) is a chemical compound with molecular formula C17H19N3S and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(prop-2-enylamino)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00379911, BIM-0016550.P001, AB00079627-01, AH-262/34888009, A1754/0074446
| Molecular Formula | C17H19N3S |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 3.56488 |
| Topological Polar Surface Area | 40.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.12997 |
| Heavy Atoms | 21 |
| Complexity | 687.44403 |
Chemical Identifiers
| CAS Number | 298205-32-0 |
|---|---|
| SMILES | C=CCNCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N |
Product Overview
BAS 00379911 (CAS 298205-32-0), with molecular formula C17H19N3S and molecular weight 297.13 g/mol. IUPAC: 2-[2-[(prop-2-enylamino)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00379911
Property Insights of BAS 00379911
The XLogP value of 3.56488 indicates that BAS 00379911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.75 Ų, BAS 00379911 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00379911 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 00379911?
The CAS number of BAS 00379911 is 298205-32-0.
What is the molecular formula of BAS 00379911?
The molecular formula of BAS 00379911 is C17H19N3S.
What is the molecular weight of BAS 00379911?
The molecular weight of BAS 00379911 is 297.13 g/mol.
Where can I buy BAS 00379911?
You can request a quote for BAS 00379911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379911?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.