Sufugolix
TL;DR: Sufugolix (CAS 388563-81-3) is a chemical compound with molecular formula C36H31F2N5O4S and molecular weight 667.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Also Known As: Sufugolix, sufugolixum, Sufugolix [INN:BAN], SUFUGOLIX [INN], Sufugolix(TAK-013)
| Molecular Formula | C36H31F2N5O4S |
|---|---|
| Molecular Weight | 667.21 g/mol |
| LogP | 6.5223 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 667.2065 |
| Heavy Atoms | 48 |
| Complexity | 2180.6682 |
Chemical Identifiers
| CAS Number | 388563-81-3 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC2=C(SC3=C2C(=O)N(C(=O)N3CC4=C(C=CC=C4F)F)C5=CC=CC=C5)C6=CC=C(C=C6)NC(=O)NOC |
Product Overview
Sufugolix (CAS 388563-81-3), with molecular formula C36H31F2N5O4S and molecular weight 667.21 g/mol. IUPAC: 1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea.
Chemical Property Profile of Sufugolix
Property Insights of Sufugolix
The XLogP value of 6.5223 indicates that Sufugolix is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sufugolix. Following Lipinski's Rule of Five, Sufugolix 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 Sufugolix?
The CAS number of Sufugolix is 388563-81-3.
What is the molecular formula of Sufugolix?
The molecular formula of Sufugolix is C36H31F2N5O4S.
What is the molecular weight of Sufugolix?
The molecular weight of Sufugolix is 667.21 g/mol.
Where can I buy Sufugolix?
You can request a quote for Sufugolix directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sufugolix?
Yes, KEHONG BIO provides custom synthesis services for Sufugolix and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.