Benzoic acid der.
TL;DR: Benzoic acid der. (CAS 165391-81-1) is a chemical compound with molecular formula C17H18ClNO3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Also Known As: Benzoic acid der., UC68, UC 68, NCI60_012892, BENZOIC ACID, 2-METHYLPROPYL ESTER
| Molecular Formula | C17H18ClNO3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 4.84182 |
| Topological Polar Surface Area | 51.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.06958 |
| Heavy Atoms | 23 |
| Complexity | 724.3786 |
Chemical Identifiers
| CAS Number | 165391-81-1 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(C)C |
Product Overview
Benzoic acid der. (CAS 165391-81-1), with molecular formula C17H18ClNO3S and molecular weight 351.07 g/mol. IUPAC: 2-methylpropyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate.
Chemical Property Profile of Benzoic acid der.
Property Insights of Benzoic acid der.
The XLogP value of 4.84182 indicates that Benzoic acid der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.47 Ų, Benzoic acid der. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid der. has 1 hydrogen bond donor(s) and 4 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 Benzoic acid der.?
The CAS number of Benzoic acid der. is 165391-81-1.
What is the molecular formula of Benzoic acid der.?
The molecular formula of Benzoic acid der. is C17H18ClNO3S.
What is the molecular weight of Benzoic acid der.?
The molecular weight of Benzoic acid der. is 351.07 g/mol.
Where can I buy Benzoic acid der.?
You can request a quote for Benzoic acid der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid der.?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.