![5-Chloropyrido[2,3-b][1,5]benzothiazepine structure](/static/products/687/68745-06-2.png)
5-Chloropyrido[2,3-b][1,5]benzothiazepine
TL;DR: 5-Chloropyrido[2,3-b][1,5]benzothiazepine (CAS 68745-06-2) is a chemical compound with molecular formula C12H7ClN2S and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropyrido[2,3-b][1,5]benzothiazepine
Also Known As: 5-chloropyrido[2,3-b][1,5]benzothiazepine
| Molecular Formula | C12H7ClN2S |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 3.8633 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.00185 |
| Heavy Atoms | 16 |
| Complexity | 580.7364 |
Chemical Identifiers
| CAS Number | 68745-06-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C3=C(S2)N=CC=C3)Cl |
Product Overview
5-Chloropyrido[2,3-b][1,5]benzothiazepine (CAS 68745-06-2), with molecular formula C12H7ClN2S and molecular weight 246.00 g/mol. IUPAC: 5-chloropyrido[2,3-b][1,5]benzothiazepine.
Chemical Property Profile of 5-Chloropyrido[2,3-b][1,5]benzothiazepine
Property Insights of 5-Chloropyrido[2,3-b][1,5]benzothiazepine
The XLogP value of 3.8633 indicates that 5-Chloropyrido[2,3-b][1,5]benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, 5-Chloropyrido[2,3-b][1,5]benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloropyrido[2,3-b][1,5]benzothiazepine has 0 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 5-Chloropyrido[2,3-b][1,5]benzothiazepine?
The CAS number of 5-Chloropyrido[2,3-b][1,5]benzothiazepine is 68745-06-2.
What is the molecular formula of 5-Chloropyrido[2,3-b][1,5]benzothiazepine?
The molecular formula of 5-Chloropyrido[2,3-b][1,5]benzothiazepine is C12H7ClN2S.
What is the molecular weight of 5-Chloropyrido[2,3-b][1,5]benzothiazepine?
The molecular weight of 5-Chloropyrido[2,3-b][1,5]benzothiazepine is 246.00 g/mol.
Where can I buy 5-Chloropyrido[2,3-b][1,5]benzothiazepine?
You can request a quote for 5-Chloropyrido[2,3-b][1,5]benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloropyrido[2,3-b][1,5]benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloropyrido[2,3-b][1,5]benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.