![Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine structure](/static/products/720/720674-29-3.png)
Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine
TL;DR: Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine (CAS 720674-29-3) is a chemical compound with molecular formula C15H9N3S and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-thia-3,5,12-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
Also Known As: pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine, AE-641/00653020, 14-thia-3,5,12-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
| Molecular Formula | C15H9N3S |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 3.6702 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.05173 |
| Heavy Atoms | 19 |
| Complexity | 706.09753 |
Chemical Identifiers
| CAS Number | 720674-29-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC=NC=C3C4=C(S2)N=CC=C4 |
Product Overview
Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine (CAS 720674-29-3), with molecular formula C15H9N3S and molecular weight 263.05 g/mol. IUPAC: 14-thia-3,5,12-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
Chemical Property Profile of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine
Property Insights of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine
The XLogP value of 3.6702 indicates that Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine 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 Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine?
The CAS number of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine is 720674-29-3.
What is the molecular formula of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine?
The molecular formula of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine is C15H9N3S.
What is the molecular weight of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine?
The molecular weight of Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine is 263.05 g/mol.
Where can I buy Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine?
You can request a quote for Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for Pyrido[2',3':2,3][1]benzothiepino[5,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.