WS7739B
TL;DR: WS7739B (CAS 101706-33-6) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-methyl-3-[(1S)-1-[(2S,3E,5R)-5-(methylsulfanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]-3H-indol-2-one
Also Known As: WS7739B, WS-7739B, WS 7739 B, FR 900452, (3S)-1-methyl-3-[(1S)-1-[(2S,3E,5R)-5-(methylsulfanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]-3H-indol-2-one
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 1.9854 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 938.9851 |
Chemical Identifiers
| CAS Number | 101706-33-6 |
|---|---|
| SMILES | C[C@@H]([C@H]1C2=CC=CC=C2N(C1=O)C)[C@H]3/C(=C\4/CC=CC4=O)/N[C@H](C(=O)N3)CSC |
Product Overview
WS7739B (CAS 101706-33-6), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: (3S)-1-methyl-3-[(1S)-1-[(2S,3E,5R)-5-(methylsulfanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]-3H-indol-2-one.
Chemical Property Profile of WS7739B
Property Insights of WS7739B
The XLogP value of 1.9854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WS7739B. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for WS7739B. Following Lipinski's Rule of Five, WS7739B has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WS7739B?
The CAS number of WS7739B is 101706-33-6.
What is the molecular formula of WS7739B?
The molecular formula of WS7739B is C22H25N3O3S.
What is the molecular weight of WS7739B?
The molecular weight of WS7739B is 411.16 g/mol.
Where can I buy WS7739B?
You can request a quote for WS7739B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WS7739B?
Yes, KEHONG BIO provides custom synthesis services for WS7739B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.