RefChem:71637
TL;DR: RefChem:71637 (CAS 136403-85-5) is a chemical compound with molecular formula C21H14F6O8 and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3,4-bis(methoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid
Also Known As: 1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, ar,ar'-dimethyl ester, 4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(1,2-benzenedicarboxylic acid), ar,ar'-dimethyl ester, 4-[2-[3,4-bis(methoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-yl]phthalic Acid, 4-[2-[3,4-bis(methoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid, 1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, 1,2-dimethyl ester?
| Molecular Formula | C21H14F6O8 |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 4.0669 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.0593 |
| Heavy Atoms | 35 |
| Complexity | 1185.2765 |
Chemical Identifiers
| CAS Number | 136403-85-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)OC |
Product Overview
RefChem:71637 (CAS 136403-85-5), with molecular formula C21H14F6O8 and molecular weight 508.06 g/mol. IUPAC: 4-[2-[3,4-bis(methoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid.
Chemical Property Profile of RefChem:71637
Property Insights of RefChem:71637
The XLogP value of 4.0669 indicates that RefChem:71637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:71637. Following Lipinski's Rule of Five, RefChem:71637 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71637?
The CAS number of RefChem:71637 is 136403-85-5.
What is the molecular formula of RefChem:71637?
The molecular formula of RefChem:71637 is C21H14F6O8.
What is the molecular weight of RefChem:71637?
The molecular weight of RefChem:71637 is 508.06 g/mol.
Where can I buy RefChem:71637?
You can request a quote for RefChem:71637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.