2-Cyclopropylbenzoic acid
TL;DR: 2-Cyclopropylbenzoic acid (CAS 3158-74-5) is a chemical compound with molecular formula C23H30Cl2FN5O5S2 and molecular weight 609.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 2-Cyclopropylbenzoic acid, ethanesulfonic acid- 2-chloro-5-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]butyl}benzenesulfonyl fluoride(1:1), 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride,ethanesulfonic acid, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid
| Molecular Formula | C23H30Cl2FN5O5S2 |
|---|---|
| Molecular Weight | 609.10 g/mol |
| LogP | 4.2966 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 609.1049 |
| Heavy Atoms | 38 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 3158-74-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C |
| InChIKey | LOHXMZMTXDOGRC-UHFFFAOYSA-N |
Product Overview
2-Cyclopropylbenzoic acid (CAS 3158-74-5), with molecular formula C23H30Cl2FN5O5S2 and molecular weight 609.10 g/mol. IUPAC: 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 2-Cyclopropylbenzoic acid
Property Insights of 2-Cyclopropylbenzoic acid
The XLogP value of 4.2966 indicates that 2-Cyclopropylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting 2-Cyclopropylbenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Cyclopropylbenzoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyclopropylbenzoic acid?
The CAS number of 2-Cyclopropylbenzoic acid is 3158-74-5.
What is the molecular formula of 2-Cyclopropylbenzoic acid?
The molecular formula of 2-Cyclopropylbenzoic acid is C23H30Cl2FN5O5S2.
What is the molecular weight of 2-Cyclopropylbenzoic acid?
The molecular weight of 2-Cyclopropylbenzoic acid is 609.10 g/mol.
Where can I buy 2-Cyclopropylbenzoic acid?
You can request a quote for 2-Cyclopropylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopropylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopropylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.