3R-0229
TL;DR: 3R-0229 (CAS 478039-98-4) is a chemical compound with molecular formula C22H20ClN3O5S and molecular weight 473.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-(4-methylphenyl)sulfonylurea
Also Known As: 3R-0229, N-({2-[4-(benzyloxy)-2-chlorobenzoyl]hydrazino}carbonyl)-4-methylbenzenesulfonamide, 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-(4-methylphenyl)sulfonylurea, 4-(benzyloxy)-2-chloro-N-{[(4-methylbenzenesulfonyl)carbamoyl]amino}benzamide, 2-[4-(Benzyloxy)-2-chlorobenzoyl]-N-(4-methylbenzene-1-sulfonyl)hydrazine-1-carboxamide
| Molecular Formula | C22H20ClN3O5S |
|---|---|
| Molecular Weight | 473.08 g/mol |
| LogP | 3.56032 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.0812 |
| Heavy Atoms | 32 |
| Complexity | 1216.0735 |
Chemical Identifiers
| CAS Number | 478039-98-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NNC(=O)C2=C(C=C(C=C2)OCC3=CC=CC=C3)Cl |
Product Overview
3R-0229 (CAS 478039-98-4), with molecular formula C22H20ClN3O5S and molecular weight 473.08 g/mol. IUPAC: 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 3R-0229
Property Insights of 3R-0229
The XLogP value of 3.56032 indicates that 3R-0229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0229. Following Lipinski's Rule of Five, 3R-0229 has 3 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 3R-0229?
The CAS number of 3R-0229 is 478039-98-4.
What is the molecular formula of 3R-0229?
The molecular formula of 3R-0229 is C22H20ClN3O5S.
What is the molecular weight of 3R-0229?
The molecular weight of 3R-0229 is 473.08 g/mol.
Where can I buy 3R-0229?
You can request a quote for 3R-0229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0229?
Yes, KEHONG BIO provides custom synthesis services for 3R-0229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.