![1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine structure](/static/products/5700/5700-05-0.webp)
1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine
TL;DR: 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine (CAS 5700-05-0) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-thia-6,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),11,13,15-hexaene
Also Known As: BAS 00107392, 1,2,3,4-tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine, BB 0262480, I14-23293, 1,2,3,4-Tetrahydro-8-thia-4,12b-diaza-cyclohepta[de]anthracene
| Molecular Formula | C15H14N2S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.1049 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.08777 |
| Heavy Atoms | 18 |
| Complexity | 609.1926 |
Chemical Identifiers
| CAS Number | 5700-05-0 |
|---|---|
| SMILES | C1CNC2=C3C(=CC=C2)SC4=CC=CC=C4N3C1 |
Product Overview
1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine (CAS 5700-05-0), with molecular formula C15H14N2S and molecular weight 254.09 g/mol. IUPAC: 17-thia-6,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),11,13,15-hexaene.
Chemical Property Profile of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine
Property Insights of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine
The XLogP value of 4.1049 indicates that 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine has 1 hydrogen bond donor(s) and 3 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 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine?
The CAS number of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine is 5700-05-0.
What is the molecular formula of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine?
The molecular formula of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine is C15H14N2S.
What is the molecular weight of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine?
The molecular weight of 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine is 254.09 g/mol.
Where can I buy 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine?
You can request a quote for 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro[1,4]diazepino[3,2,1-kl]phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.