Epitope ID:140138
TL;DR: Epitope ID:140138 (CAS 136676-91-0) is a chemical compound with molecular formula C31H32N4O3 and molecular weight 508.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
Also Known As: Epitope ID:140138, PD 123319 ditrifluoroacetate, s7098, PD 123,319 DITRIFLUOROACETATE, 1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)-
| Molecular Formula | C31H32N4O3 |
|---|---|
| Molecular Weight | 508.25 g/mol |
| LogP | 4.47582 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.24744 |
| Heavy Atoms | 38 |
| Complexity | 1407.2483 |
Chemical Identifiers
| CAS Number | 136676-91-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C |
Product Overview
Epitope ID:140138 (CAS 136676-91-0), with molecular formula C31H32N4O3 and molecular weight 508.25 g/mol. IUPAC: (6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
Chemical Property Profile of Epitope ID:140138
Property Insights of Epitope ID:140138
The XLogP value of 4.47582 indicates that Epitope ID:140138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Epitope ID:140138. Following Lipinski's Rule of Five, Epitope ID:140138 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epitope ID:140138?
The CAS number of Epitope ID:140138 is 136676-91-0.
What is the molecular formula of Epitope ID:140138?
The molecular formula of Epitope ID:140138 is C31H32N4O3.
What is the molecular weight of Epitope ID:140138?
The molecular weight of Epitope ID:140138 is 508.25 g/mol.
Where can I buy Epitope ID:140138?
You can request a quote for Epitope ID:140138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epitope ID:140138?
Yes, KEHONG BIO provides custom synthesis services for Epitope ID:140138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.