Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester
TL;DR: Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester (CAS 59902-30-6) is a chemical compound with molecular formula C16H20O4S and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxa-4-thiaspiro[4.5]decan-2-ylmethyl 2-hydroxybenzoate
Also Known As: 1-Oxa-4-thiaspiro(4.5)dec-2-ylmethyl 2-hydroxybenzoate, (1,4-Oxathiaspiro(4.5)dec-2-yl)methyl o-hydroxybenzoate, o-Hydroxybenzoic acid (1,4-oxathiaspiro(4.5)dec-2-yl)methyl ester, Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester, 1-oxa-4-thiaspiro[4.5]decan-2-ylmethyl 2-hydroxybenzoate
| Molecular Formula | C16H20O4S |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 3.3414 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.10822 |
| Heavy Atoms | 21 |
| Complexity | 510.75336 |
Chemical Identifiers
| CAS Number | 59902-30-6 |
|---|---|
| SMILES | C1CCC2(CC1)OC(CS2)COC(=O)C3=CC=CC=C3O |
Product Overview
Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester (CAS 59902-30-6), with molecular formula C16H20O4S and molecular weight 308.11 g/mol. IUPAC: 1-oxa-4-thiaspiro[4.5]decan-2-ylmethyl 2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester
Property Insights of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester
The XLogP value of 3.3414 indicates that Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester has 1 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 Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester?
The CAS number of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester is 59902-30-6.
What is the molecular formula of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester is C16H20O4S.
What is the molecular weight of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester is 308.11 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-, 1-oxa-4-thiaspiro(4.5)dec-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.