COFORMYCIN AGLYCON DERIVATIVE-3
TL;DR: COFORMYCIN AGLYCON DERIVATIVE-3 (CAS 214679-60-4) is a chemical compound with molecular formula C19H21BrN4O3 and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Also Known As: COFORMYCIN AGLYCON DERIVATIVE-3, J1.498.135G, 1-bromo-4-(2-{8-hydroxy-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-3-yl}ethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, 1-Bromo-4-[2-(7,8-dihydro-8-hydroxyimidazo[4,5-d][1,3]diazepin-3(4H)-yl)ethyl]-5,6,7,8-tetrahydro-2-naphthalenecarboxylic Acid, 1-Bromo-4-[2-(8-hydroxy-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine-3-yl)ethyl]-5,6,7,8-tetrahydro-2-naphthoic acid
| Molecular Formula | C19H21BrN4O3 |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 2.9525 |
| Topological Polar Surface Area | 99.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0797 |
| Heavy Atoms | 27 |
| Complexity | 922.16394 |
Chemical Identifiers
| CAS Number | 214679-60-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CC(=C2Br)C(=O)O)CCN3C=NC4=C3NC=NCC4O |
Product Overview
COFORMYCIN AGLYCON DERIVATIVE-3 (CAS 214679-60-4), with molecular formula C19H21BrN4O3 and molecular weight 432.08 g/mol. IUPAC: 1-bromo-4-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
Chemical Property Profile of COFORMYCIN AGLYCON DERIVATIVE-3
Property Insights of COFORMYCIN AGLYCON DERIVATIVE-3
The XLogP value of 2.9525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for COFORMYCIN AGLYCON DERIVATIVE-3. The TPSA of 99.74 Ų falls within the moderate polarity range, balancing permeability and solubility for COFORMYCIN AGLYCON DERIVATIVE-3. Following Lipinski's Rule of Five, COFORMYCIN AGLYCON DERIVATIVE-3 has 3 hydrogen bond donor(s) and 5 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 COFORMYCIN AGLYCON DERIVATIVE-3?
The CAS number of COFORMYCIN AGLYCON DERIVATIVE-3 is 214679-60-4.
What is the molecular formula of COFORMYCIN AGLYCON DERIVATIVE-3?
The molecular formula of COFORMYCIN AGLYCON DERIVATIVE-3 is C19H21BrN4O3.
What is the molecular weight of COFORMYCIN AGLYCON DERIVATIVE-3?
The molecular weight of COFORMYCIN AGLYCON DERIVATIVE-3 is 432.08 g/mol.
Where can I buy COFORMYCIN AGLYCON DERIVATIVE-3?
You can request a quote for COFORMYCIN AGLYCON DERIVATIVE-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COFORMYCIN AGLYCON DERIVATIVE-3?
Yes, KEHONG BIO provides custom synthesis services for COFORMYCIN AGLYCON DERIVATIVE-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.