Tox21_501186
TL;DR: Tox21_501186 (CAS 146032-79-3) is a chemical compound with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Also Known As: Tox21_501186, CAS_146032-79-3, 8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[3-[(2-furanylmethyl)thio]-1-oxopropyl]hydrazide, SC-51322, >=98% (HPLC), 3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
| Molecular Formula | C22H20ClN3O4S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 5.1096 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0863 |
| Heavy Atoms | 31 |
| Complexity | 1074.3778 |
Chemical Identifiers
| CAS Number | 146032-79-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl |
Product Overview
Tox21_501186 (CAS 146032-79-3), with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol. IUPAC: 3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide.
Chemical Property Profile of Tox21_501186
Property Insights of Tox21_501186
The XLogP value of 5.1096 indicates that Tox21_501186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_501186. Following Lipinski's Rule of Five, Tox21_501186 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tox21_501186?
The CAS number of Tox21_501186 is 146032-79-3.
What is the molecular formula of Tox21_501186?
The molecular formula of Tox21_501186 is C22H20ClN3O4S.
What is the molecular weight of Tox21_501186?
The molecular weight of Tox21_501186 is 457.09 g/mol.
Where can I buy Tox21_501186?
You can request a quote for Tox21_501186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_501186?
Yes, KEHONG BIO provides custom synthesis services for Tox21_501186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.