Denibulin
TL;DR: Denibulin (CAS 284019-34-7) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-[4-(2-aminopropanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
Also Known As: Denibulin, methyl (6-((4-(2-aminopropanamido)phenyl)thio)-1H-benzo[d]imidazol-2-yl)carbamate, Methyl N-[6-[4-(2-aminopropanoylamino)phenyl]sulfanyl-1H-benzoimidazol-2-yl]carbamate, methyl N-[6-[4-[[(2S)-2-aminopropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 3.1781 |
| Topological Polar Surface Area | 122.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 968.7925 |
Chemical Identifiers
| CAS Number | 284019-34-7 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N |
Product Overview
Denibulin (CAS 284019-34-7), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: methyl N-[6-[4-(2-aminopropanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of Denibulin
Property Insights of Denibulin
The XLogP value of 3.1781 indicates that Denibulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Denibulin. Following Lipinski's Rule of Five, Denibulin has 4 hydrogen bond donor(s) and 6 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 Denibulin?
The CAS number of Denibulin is 284019-34-7.
What is the molecular formula of Denibulin?
The molecular formula of Denibulin is C18H19N5O3S.
What is the molecular weight of Denibulin?
The molecular weight of Denibulin is 385.12 g/mol.
Where can I buy Denibulin?
You can request a quote for Denibulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denibulin?
Yes, KEHONG BIO provides custom synthesis services for Denibulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.