C.I. Reactive Blue 231
TL;DR: C.I. Reactive Blue 231 (CAS 71458-51-0) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(adamantane-1-carbonyl)pyridine-4-carbohydrazide
Also Known As: reactive blue 231, Supradamal, basic red 113, 4mgv, SRA/4a
| Molecular Formula | C17H21N3O2 |
|---|---|
| Molecular Weight | 299.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1634 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 71458-51-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=NC=C4 |
| InChIKey | VXKCGGYPMLXZKG-UHFFFAOYSA-N |
Product Overview
C.I. Reactive Blue 231 (CAS 71458-51-0), with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol. IUPAC: N'-(adamantane-1-carbonyl)pyridine-4-carbohydrazide.
Chemical Property Profile of C.I. Reactive Blue 231
Property Insights of C.I. Reactive Blue 231
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Reactive Blue 231. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Reactive Blue 231. Following Lipinski's Rule of Five, C.I. Reactive Blue 231 has 2 hydrogen bond donor(s) and 3 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 C.I. Reactive Blue 231?
The CAS number of C.I. Reactive Blue 231 is 71458-51-0.
What is the molecular formula of C.I. Reactive Blue 231?
The molecular formula of C.I. Reactive Blue 231 is C17H21N3O2.
What is the molecular weight of C.I. Reactive Blue 231?
The molecular weight of C.I. Reactive Blue 231 is 299.16 g/mol.
Where can I buy C.I. Reactive Blue 231?
You can request a quote for C.I. Reactive Blue 231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Reactive Blue 231?
Yes, KEHONG BIO provides custom synthesis services for C.I. Reactive Blue 231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.