![Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester structure](/static/products/6484/648427-17-2.webp)
Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester
TL;DR: Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester (CAS 648427-17-2) is a chemical compound with molecular formula C20H28ClN3O8S and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4,5-bis(2-methoxyethoxy)benzoate
Also Known As: Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester, Ethyl 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)benzoate, ethyl 2-(5-chloro-1,3-dimethylpyrazole-4-sulfonamido)-4,5-bis(2-methoxyethoxy)benzoate, Ethyl 2-[(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl)amino]-4,5-bis(2-methoxyethoxy)benzoate, Ethyl 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4,5-bis(2-methoxyethoxy)benzoate
| Molecular Formula | C20H28ClN3O8S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 2.40982 |
| Topological Polar Surface Area | 127.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 505.12857 |
| Heavy Atoms | 33 |
| Complexity | 1071.7476 |
Chemical Identifiers
| CAS Number | 648427-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1NS(=O)(=O)C2=C(N(N=C2C)C)Cl)OCCOC)OCCOC |
Product Overview
Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester (CAS 648427-17-2), with molecular formula C20H28ClN3O8S and molecular weight 505.13 g/mol. IUPAC: ethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4,5-bis(2-methoxyethoxy)benzoate.
Chemical Property Profile of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester
Property Insights of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester
The XLogP value of 2.40982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester. The TPSA of 127.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester?
The CAS number of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester is 648427-17-2.
What is the molecular formula of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester?
The molecular formula of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester is C20H28ClN3O8S.
What is the molecular weight of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester?
The molecular weight of Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester is 505.13 g/mol.
Where can I buy Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester?
You can request a quote for Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl 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-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-4,5-bis(2-methoxyethoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.