RefChem:1083321
TL;DR: RefChem:1083321 (CAS 21508-40-7) is a chemical compound with molecular formula C24H27NO6S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3E)-3-(2-methyl-5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5,5-dioxide, maleate (1:1), (E)-, DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)-PROPYLAMINE, N,N,2-TRIMETHYL-, 5,5-D, dimethyl-[(3E)-3-(2-methyl-5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083321
| Molecular Formula | C24H27NO6S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 0.62572 |
| Topological Polar Surface Area | 116.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.1559 |
| Heavy Atoms | 32 |
| Complexity | 1146.762 |
Chemical Identifiers
| CAS Number | 21508-40-7 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)S(=O)(=O)CC3=CC=CC=C3/C2=C\CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083321 (CAS 21508-40-7), with molecular formula C24H27NO6S and molecular weight 457.16 g/mol. IUPAC: dimethyl-[(3E)-3-(2-methyl-5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083321
Property Insights of RefChem:1083321
The XLogP value of 0.62572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083321. The TPSA of 116.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083321. Following Lipinski's Rule of Five, RefChem:1083321 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 RefChem:1083321?
The CAS number of RefChem:1083321 is 21508-40-7.
What is the molecular formula of RefChem:1083321?
The molecular formula of RefChem:1083321 is C24H27NO6S.
What is the molecular weight of RefChem:1083321?
The molecular weight of RefChem:1083321 is 457.16 g/mol.
Where can I buy RefChem:1083321?
You can request a quote for RefChem:1083321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.