8T-0305
TL;DR: 8T-0305 (CAS 866137-44-2) is a chemical compound with molecular formula C21H21N5O7 and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate
Also Known As: 8T-0305, methyl 3-nitro-4-(4-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)amino]carbonyl}piperazino)benzenecarboxylate, methyl 3-nitro-4-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate, methyl 3-nitro-4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl}benzoate, methyl3-nitro-4-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl}benzoate
| Molecular Formula | C21H21N5O7 |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 2.0664 |
| Topological Polar Surface Area | 143.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.1441 |
| Heavy Atoms | 33 |
| Complexity | 1127.9818 |
Chemical Identifiers
| CAS Number | 866137-44-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4)[N+](=O)[O-] |
Product Overview
8T-0305 (CAS 866137-44-2), with molecular formula C21H21N5O7 and molecular weight 455.14 g/mol. IUPAC: methyl 3-nitro-4-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate.
Chemical Property Profile of 8T-0305
Property Insights of 8T-0305
The XLogP value of 2.0664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8T-0305. The TPSA of 143.35 Ų indicates high polarity, suggesting 8T-0305 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8T-0305 has 2 hydrogen bond donor(s) and 8 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 8T-0305?
The CAS number of 8T-0305 is 866137-44-2.
What is the molecular formula of 8T-0305?
The molecular formula of 8T-0305 is C21H21N5O7.
What is the molecular weight of 8T-0305?
The molecular weight of 8T-0305 is 455.14 g/mol.
Where can I buy 8T-0305?
You can request a quote for 8T-0305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8T-0305?
Yes, KEHONG BIO provides custom synthesis services for 8T-0305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.