Dnacin B1
TL;DR: Dnacin B1 (CAS 76828-84-7) is a chemical compound with molecular formula C19H24N4O5 and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione
Also Known As: Dnacin B1, Dnacin A1, 13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione, 11-Amino-7-hydroxy-9-(hydroxymethyl)-5-methyl-1,2,3a,4,4a,6,7,9,13b,13c-decahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-10,13-dione, 13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo(15.3.1.03,19.04,8.09,18.010,15)henicosa-10(15),12-diene-11,14-dione
| Molecular Formula | C19H24N4O5 |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | -2.6161 |
| Topological Polar Surface Area | 119.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.17468 |
| Heavy Atoms | 28 |
| Complexity | 855.262 |
Chemical Identifiers
| CAS Number | 76828-84-7 |
|---|---|
| SMILES | CN1C2CC3C1C4C(C5=C(C(N4C2O)CO)C(=O)C(=CC5=O)N)N6C3OCC6 |
Product Overview
Dnacin B1 (CAS 76828-84-7), with molecular formula C19H24N4O5 and molecular weight 388.17 g/mol. IUPAC: 13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione.
Chemical Property Profile of Dnacin B1
Property Insights of Dnacin B1
The XLogP value of -2.6161 indicates that Dnacin B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Dnacin B1. Following Lipinski's Rule of Five, Dnacin B1 has 3 hydrogen bond donor(s) and 9 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 Dnacin B1?
The CAS number of Dnacin B1 is 76828-84-7.
What is the molecular formula of Dnacin B1?
The molecular formula of Dnacin B1 is C19H24N4O5.
What is the molecular weight of Dnacin B1?
The molecular weight of Dnacin B1 is 388.17 g/mol.
Where can I buy Dnacin B1?
You can request a quote for Dnacin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dnacin B1?
Yes, KEHONG BIO provides custom synthesis services for Dnacin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.