YC137
TL;DR: YC137 (CAS 810659-53-1) is a chemical compound with molecular formula C24H21N3O6S2 and molecular weight 511.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)amino]phenyl] (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
Also Known As: Bcl-2 Inhibitor II, YC137, Bcl-2 Inhibitor II, YC137, YC 137, SID:112378983
| Molecular Formula | C24H21N3O6S2 |
|---|---|
| Molecular Weight | 511.09 g/mol |
| LogP | 4.0452 |
| Topological Polar Surface Area | 123.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.0872 |
| Heavy Atoms | 35 |
| Complexity | 1236.1665 |
Chemical Identifiers
| CAS Number | 810659-53-1 |
|---|---|
| SMILES | COC(=O)N[C@@H](CCSC)C(=O)OC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O |
Product Overview
YC137 (CAS 810659-53-1), with molecular formula C24H21N3O6S2 and molecular weight 511.09 g/mol. IUPAC: [4-[(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)amino]phenyl] (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate.
Chemical Property Profile of YC137
Property Insights of YC137
The XLogP value of 4.0452 indicates that YC137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.69 Ų falls within the moderate polarity range, balancing permeability and solubility for YC137. Following Lipinski's Rule of Five, YC137 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YC137?
The CAS number of YC137 is 810659-53-1.
What is the molecular formula of YC137?
The molecular formula of YC137 is C24H21N3O6S2.
What is the molecular weight of YC137?
The molecular weight of YC137 is 511.09 g/mol.
Where can I buy YC137?
You can request a quote for YC137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YC137?
Yes, KEHONG BIO provides custom synthesis services for YC137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.