RefChem:357756
TL;DR: RefChem:357756 (CAS 113825-87-9) is a chemical compound with molecular formula C22H21Cl2N5O2S and molecular weight 489.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[13-(chloromethyl)-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Also Known As: Morpholine, 4-(3-(9-(chloromethyl)-4-(2-chlorophenyl)-6H-thieno(3,2-f)(1,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[9-(Chloromethyl)-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one, RefChem:357756
| Molecular Formula | C22H21Cl2N5O2S |
|---|---|
| Molecular Weight | 489.08 g/mol |
| LogP | 3.8634 |
| Topological Polar Surface Area | 72.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0793 |
| Heavy Atoms | 32 |
| Complexity | 1182.9521 |
Chemical Identifiers
| CAS Number | 113825-87-9 |
|---|---|
| SMILES | C1COCCN1C(=O)CCC2=CC3=C(S2)N4C(=NN=C4CCl)CN=C3C5=CC=CC=C5Cl |
Product Overview
RefChem:357756 (CAS 113825-87-9), with molecular formula C22H21Cl2N5O2S and molecular weight 489.08 g/mol. IUPAC: 3-[13-(chloromethyl)-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one.
Chemical Property Profile of RefChem:357756
Property Insights of RefChem:357756
The XLogP value of 3.8634 indicates that RefChem:357756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357756. Following Lipinski's Rule of Five, RefChem:357756 has 0 hydrogen bond donor(s) and 6 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 RefChem:357756?
The CAS number of RefChem:357756 is 113825-87-9.
What is the molecular formula of RefChem:357756?
The molecular formula of RefChem:357756 is C22H21Cl2N5O2S.
What is the molecular weight of RefChem:357756?
The molecular weight of RefChem:357756 is 489.08 g/mol.
Where can I buy RefChem:357756?
You can request a quote for RefChem:357756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:357756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:357756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.