T-98475
TL;DR: T-98475 (CAS 192887-28-8) is a chemical compound with molecular formula C37H38ClF2N3O4S and molecular weight 693.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride
Also Known As: T-98475, Thieno[2,3-b]pyridine-5-carboxylic acid, 7-[(2,6-difluorophenyl)methyl]-4,7-dihydro-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl(phenylmethyl)amino]methyl]-4-oxo-, 1-methylethyl ester, hydrochloride (1:1), Isopropyl 3-((benzyl(methyl)amino)methyl)-7-(2,6-difluorobenzyl)-2-(4-isobutyramidophenyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate hydrochloride, Thieno[2,3-b]pyridine-5-carboxylic acid, 7-[(2,6-difluorophenyl)methyl]-4,7-dihydro-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl(phenylmethyl)amino]methyl]-4-oxo-, 1-methylethyl ester, monohyd
| Molecular Formula | C37H38ClF2N3O4S |
|---|---|
| Molecular Weight | 693.22 g/mol |
| LogP | 8.27 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 693.22394 |
| Heavy Atoms | 48 |
| Complexity | 1955.0457 |
Chemical Identifiers
| CAS Number | 192887-28-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5.Cl |
Product Overview
T-98475 (CAS 192887-28-8), with molecular formula C37H38ClF2N3O4S and molecular weight 693.22 g/mol. IUPAC: propan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride.
Chemical Property Profile of T-98475
Property Insights of T-98475
The XLogP value of 8.27 indicates that T-98475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for T-98475. Following Lipinski's Rule of Five, T-98475 has 1 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 T-98475?
The CAS number of T-98475 is 192887-28-8.
What is the molecular formula of T-98475?
The molecular formula of T-98475 is C37H38ClF2N3O4S.
What is the molecular weight of T-98475?
The molecular weight of T-98475 is 693.22 g/mol.
Where can I buy T-98475?
You can request a quote for T-98475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T-98475?
Yes, KEHONG BIO provides custom synthesis services for T-98475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.