Cambridge id 5705547
TL;DR: Cambridge id 5705547 (CAS 300718-31-4) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(12,12-dimethyl-3-oxo-5-propyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide
Also Known As: BAS 00216543, N-(6,6-dimethyl-4-oxo-2-propyl(3,5,6-trihydro-8H-pyrimidino[5',4'-4,5]thiophen o[2,3-c]pyran-3-yl))(4-nitrophenyl)carboxamide, N-(6,6-dimethyl-4-oxo-2-propyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-nitrobenzamide, N-(6,6-dimethyl-4-oxo-2-propyl-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-4-nitrobenzamide, N-(6,6-dimethyl-4-oxo-2-propyl-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidin-3-yl)-4-nitrobenzamide
| Molecular Formula | C21H22N4O5S |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 3.5539 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.1311 |
| Heavy Atoms | 31 |
| Complexity | 1243.3739 |
Chemical Identifiers
| CAS Number | 300718-31-4 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Cambridge id 5705547 (CAS 300718-31-4), with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol. IUPAC: N-(12,12-dimethyl-3-oxo-5-propyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-nitrobenzamide.
Chemical Property Profile of Cambridge id 5705547
Property Insights of Cambridge id 5705547
The XLogP value of 3.5539 indicates that Cambridge id 5705547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5705547. Following Lipinski's Rule of Five, Cambridge id 5705547 has 1 hydrogen bond donor(s) and 7 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 Cambridge id 5705547?
The CAS number of Cambridge id 5705547 is 300718-31-4.
What is the molecular formula of Cambridge id 5705547?
The molecular formula of Cambridge id 5705547 is C21H22N4O5S.
What is the molecular weight of Cambridge id 5705547?
The molecular weight of Cambridge id 5705547 is 442.13 g/mol.
Where can I buy Cambridge id 5705547?
You can request a quote for Cambridge id 5705547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5705547?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5705547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.