CaCCinh-A01
TL;DR: CaCCinh-A01 (CAS 407587-33-1) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: CaCCinh-A01, (6R)-6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 407587-33-1 |
|---|---|
| SMILES | CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3 |
| InChIKey | ACLUEOBQFRYTQS-SNVBAGLBSA-N |
Product Overview
CaCCinh-A01 (CAS 407587-33-1), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: (6R)-6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of CaCCinh-A01
Property Insights of CaCCinh-A01
The XLogP value of 5.1 indicates that CaCCinh-A01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CaCCinh-A01. Following Lipinski's Rule of Five, CaCCinh-A01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CaCCinh-A01?
The CAS number of CaCCinh-A01 is 407587-33-1.
What is the molecular formula of CaCCinh-A01?
The molecular formula of CaCCinh-A01 is C18H21NO4S.
What is the molecular weight of CaCCinh-A01?
The molecular weight of CaCCinh-A01 is 347.12 g/mol.
Where can I buy CaCCinh-A01?
You can request a quote for CaCCinh-A01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CaCCinh-A01?
Yes, KEHONG BIO provides custom synthesis services for CaCCinh-A01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.