Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate
TL;DR: Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate (CAS 445224-63-5) is a chemical compound with molecular formula C12H14ClNO5S and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
Also Known As: methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate, methyl 2-chloro-5-(morpholin-4-ylsulfonyl)benzoate, methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate, BAS 07021628, BIM-0018515.P001
| Molecular Formula | C12H14ClNO5S |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0281 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 445224-63-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl |
| InChIKey | JYCBXPKSQXFWGP-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate (CAS 445224-63-5), with molecular formula C12H14ClNO5S and molecular weight 319.03 g/mol. IUPAC: methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate
Property Insights of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate?
The CAS number of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate is 445224-63-5.
What is the molecular formula of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate?
The molecular formula of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate is C12H14ClNO5S.
What is the molecular weight of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate?
The molecular weight of Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate is 319.03 g/mol.
Where can I buy Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate?
You can request a quote for Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-5-(morpholine-4-sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.