BAS 00311431
TL;DR: BAS 00311431 (CAS 297761-65-0) is a chemical compound with molecular formula C18H23N3S and molecular weight 313.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00311431, AH-262/08459020, 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{2-[(butylamino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{2-[(BUTYLAMINO)METHYL]-1H-PYRROL-1-YL}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-3-YL CYANIDE
| Molecular Formula | C18H23N3S |
|---|---|
| Molecular Weight | 313.16 g/mol |
| LogP | 4.17898 |
| Topological Polar Surface Area | 40.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.16125 |
| Heavy Atoms | 22 |
| Complexity | 675.054 |
Chemical Identifiers
| CAS Number | 297761-65-0 |
|---|---|
| SMILES | CCCCNCC1=CC=CN1C2=C(C3=C(S2)CCCC3)C#N |
Product Overview
BAS 00311431 (CAS 297761-65-0), with molecular formula C18H23N3S and molecular weight 313.16 g/mol. IUPAC: 2-[2-(butylaminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of BAS 00311431
Property Insights of BAS 00311431
The XLogP value of 4.17898 indicates that BAS 00311431 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 00311431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00311431 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 00311431?
The CAS number of BAS 00311431 is 297761-65-0.
What is the molecular formula of BAS 00311431?
The molecular formula of BAS 00311431 is C18H23N3S.
What is the molecular weight of BAS 00311431?
The molecular weight of BAS 00311431 is 313.16 g/mol.
Where can I buy BAS 00311431?
You can request a quote for BAS 00311431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00311431?
Yes, KEHONG BIO provides custom synthesis services for BAS 00311431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.