RefChem:317999
TL;DR: RefChem:317999 (CAS 59866-16-9) is a chemical compound with molecular formula C27H31ClN2O11 and molecular weight 594.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-[[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium chloride
Also Known As: 3,4-Diacetyloxy-L-phenylalanyl-3,4-diacetyloxy-L-phenylalanine methyl ester hydrochloride, Alanine, N-(3,4-diacetoxy-L-phenylalanyl)-3-(3,4-diacetoxyphenyl)-, methyl ester, hydrochloride, L-, [(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-[[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium chloride, ALANINE, N-(3,4-DIACETOXY-L-PHENYLALANYL)-3-(3,4-DIACETOXYPHENYL)-, METHYL ESTER, L-Tyrosine, N-[O-acetyl-3-(acetyloxy)-L-tyrosyl]-3-(acetyloxy)-, methyl ester, acetate (ester), monohydrochloride
| Molecular Formula | C27H31ClN2O11 |
|---|---|
| Molecular Weight | 594.16 g/mol |
| LogP | -3.75 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 594.1616 |
| Heavy Atoms | 41 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 59866-16-9 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC(=C(C=C1)CC(=O)O)CC(=O)O)NC(=O)[C@H](CC2=CC(=C(C=C2)CC(=O)O)CC(=O)O)[NH3+].[Cl-] |
| InChIKey | OSWNXJXGUNGKKM-GUTACTQSSA-N |
Product Overview
RefChem:317999 (CAS 59866-16-9), with molecular formula C27H31ClN2O11 and molecular weight 594.16 g/mol. IUPAC: [(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-[[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium chloride.
Chemical Property Profile of RefChem:317999
Property Insights of RefChem:317999
The XLogP value of -3.75 indicates that RefChem:317999 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting RefChem:317999 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:317999 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:317999?
The CAS number of RefChem:317999 is 59866-16-9.
What is the molecular formula of RefChem:317999?
The molecular formula of RefChem:317999 is C27H31ClN2O11.
What is the molecular weight of RefChem:317999?
The molecular weight of RefChem:317999 is 594.16 g/mol.
Where can I buy RefChem:317999?
You can request a quote for RefChem:317999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:317999?
Yes, KEHONG BIO provides custom synthesis services for RefChem:317999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.