BAS 05888113
TL;DR: BAS 05888113 (CAS 608121-41-1) is a chemical compound with molecular formula C23H26N2O4S and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: BAS 05888113, AF-399/41702966, N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide, N-(3-{[(3-methoxypropyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methyl-1-benzofuran-2-carboxamide, N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C23H26N2O4S |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 4.70012 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.16132 |
| Heavy Atoms | 30 |
| Complexity | 1082.4982 |
Chemical Identifiers
| CAS Number | 608121-41-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCCCOC |
Product Overview
BAS 05888113 (CAS 608121-41-1), with molecular formula C23H26N2O4S and molecular weight 426.16 g/mol. IUPAC: N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of BAS 05888113
Property Insights of BAS 05888113
The XLogP value of 4.70012 indicates that BAS 05888113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05888113. Following Lipinski's Rule of Five, BAS 05888113 has 2 hydrogen bond donor(s) and 5 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 05888113?
The CAS number of BAS 05888113 is 608121-41-1.
What is the molecular formula of BAS 05888113?
The molecular formula of BAS 05888113 is C23H26N2O4S.
What is the molecular weight of BAS 05888113?
The molecular weight of BAS 05888113 is 426.16 g/mol.
Where can I buy BAS 05888113?
You can request a quote for BAS 05888113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05888113?
Yes, KEHONG BIO provides custom synthesis services for BAS 05888113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.