S-烯丙基半胱氨酸
TL;DR: S-烯丙基半胱氨酸 (CAS 21593-77-1) is a chemical compound with molecular formula C19H15ClN2O3S2 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-烯丙基半胱氨酸
2-benzyl-4-[(4-chlorophenyl)methyl]-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Also Known As: Q689, 2H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 4-((4-chlorophenyl)methyl)-2-(phenylmethyl)-, 1,1-dioxide, 2-benzyl-4-(4-chlorobenzyl)-2h-thieno[3,4-e][1,2,4]thiadiazin-3(4h)-one 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der., 2-benzyl-4-[(4-chlorophenyl)methyl]-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
| Molecular Formula | C19H15ClN2O3S2 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.02127 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 21593-77-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)N(C3=CSC=C3S2(=O)=O)CC4=CC=C(C=C4)Cl |
| InChIKey | NHNPWWKEDVMMRM-UHFFFAOYSA-N |
Product Overview
S-烯丙基半胱氨酸 (CAS 21593-77-1), with molecular formula C19H15ClN2O3S2 and molecular weight 418.02 g/mol. IUPAC: 2-benzyl-4-[(4-chlorophenyl)methyl]-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one.
Chemical Property Profile of S-烯丙基半胱氨酸
Property Insights of S-烯丙基半胱氨酸
The XLogP value of 3.8 indicates that S-烯丙基半胱氨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for S-烯丙基半胱氨酸. Following Lipinski's Rule of Five, S-烯丙基半胱氨酸 has 0 hydrogen bond donor(s) and 4 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 S-烯丙基半胱氨酸?
The CAS number of S-烯丙基半胱氨酸 is 21593-77-1.
What is the molecular formula of S-烯丙基半胱氨酸?
The molecular formula of S-烯丙基半胱氨酸 is C19H15ClN2O3S2.
What is the molecular weight of S-烯丙基半胱氨酸?
The molecular weight of S-烯丙基半胱氨酸 is 418.02 g/mol.
Where can I buy S-烯丙基半胱氨酸?
You can request a quote for S-烯丙基半胱氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-烯丙基半胱氨酸?
Yes, KEHONG BIO provides custom synthesis services for S-烯丙基半胱氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.