AR-1C7172
TL;DR: AR-1C7172 (CAS 59202-94-7) is a chemical compound with molecular formula C49H77Br3N2O16 and molecular weight 1186.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-amino-2,4,6-tribromophenyl)methyl]butanoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione
Also Known As: 2-(3-amino-2,4,6-tribromobenzyl)butanoic acid- 14-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-8-ethyl-1-hydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy]-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione(1:1)(non-preferred name), Erythromycin, 9-deoxo-6-deoxy-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-tribromo-alpha-ethylbenzene propanoate (salt)
| Molecular Formula | C49H77Br3N2O16 |
|---|---|
| Molecular Weight | 1186.28 g/mol |
| LogP | 7.33 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 1188.2803 |
| Heavy Atoms | 70 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 59202-94-7 |
|---|---|
| SMILES | CCC1C2(C(C(C3(C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)O)C)OC(=O)O2)C.CCC(CC1=C(C(=C(C=C1Br)Br)N)Br)C(=O)O |
| InChIKey | ZQAFHRSHVBSUFV-UHFFFAOYSA-N |
Product Overview
AR-1C7172 (CAS 59202-94-7), with molecular formula C49H77Br3N2O16 and molecular weight 1186.28 g/mol. IUPAC: 2-[(3-amino-2,4,6-tribromophenyl)methyl]butanoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione.
Chemical Property Profile of AR-1C7172
Property Insights of AR-1C7172
The XLogP value of 7.33 indicates that AR-1C7172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.0 Ų indicates high polarity, suggesting AR-1C7172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AR-1C7172 has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AR-1C7172?
The CAS number of AR-1C7172 is 59202-94-7.
What is the molecular formula of AR-1C7172?
The molecular formula of AR-1C7172 is C49H77Br3N2O16.
What is the molecular weight of AR-1C7172?
The molecular weight of AR-1C7172 is 1186.28 g/mol.
Where can I buy AR-1C7172?
You can request a quote for AR-1C7172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-1C7172?
Yes, KEHONG BIO provides custom synthesis services for AR-1C7172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.