![4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine structure](/static/products/840/840455-91-6.png)
4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
TL;DR: 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine (CAS 840455-91-6) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
Also Known As: 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.6815 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 858.02423 |
Chemical Identifiers
| CAS Number | 840455-91-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCSCC4)OC |
Product Overview
4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine (CAS 840455-91-6), with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol. IUPAC: 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine.
Chemical Property Profile of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
Property Insights of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
The XLogP value of 2.6815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine. Following Lipinski's Rule of Five, 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine has 1 hydrogen bond donor(s) and 6 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 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The CAS number of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine is 840455-91-6.
What is the molecular formula of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The molecular formula of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine is C16H18N4O2S.
What is the molecular weight of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
The molecular weight of 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine is 330.12 g/mol.
Where can I buy 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
You can request a quote for 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.