4-Carboxyclonidine-methyl 3,5-dichlorotyrosine
TL;DR: 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine (CAS 75472-83-2) is a chemical compound with molecular formula C20H18Cl2I2N4O4 and molecular weight 701.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Also Known As: 3,5-Dichloro-St 1984-tme, 4-Carboxyclonidine-3,5-dichlorotyrosine methyl ester, 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine, methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate, L-Tyrosine, N-(3,5-dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)benzoyl)-3,5-diiodo-, methyl ester
| Molecular Formula | C20H18Cl2I2N4O4 |
|---|---|
| Molecular Weight | 701.88 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 701.87946 |
| Heavy Atoms | 32 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 75472-83-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC(=C(C(=C1)I)O)I)NC(=O)C2=CC(=C(C(=C2)Cl)NC3=NCCN3)Cl |
| InChIKey | WFGVKWPZKIPTRY-HNNXBMFYSA-N |
Product Overview
4-Carboxyclonidine-methyl 3,5-dichlorotyrosine (CAS 75472-83-2), with molecular formula C20H18Cl2I2N4O4 and molecular weight 701.88 g/mol. IUPAC: methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate.
Chemical Property Profile of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine
Property Insights of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine
The XLogP value of 4.0 indicates that 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine. Following Lipinski's Rule of Five, 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine?
The CAS number of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine is 75472-83-2.
What is the molecular formula of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine?
The molecular formula of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine is C20H18Cl2I2N4O4.
What is the molecular weight of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine?
The molecular weight of 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine is 701.88 g/mol.
Where can I buy 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine?
You can request a quote for 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxyclonidine-methyl 3,5-dichlorotyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.