3'-Azidocarboxin
TL;DR: 3'-Azidocarboxin (CAS 77386-61-9) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-azidophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Also Known As: 3'-Azidocarboxin, Azidocarboxin, N-(3-azidophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, 3'-Azido-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxanilide, 1,4-Oxathiin-3-carboxamide, N-(3-azidophenyl)-5,6-dihydro-2-methyl-
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 3.5618 |
| Topological Polar Surface Area | 87.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 578.84705 |
Chemical Identifiers
| CAS Number | 77386-61-9 |
|---|---|
| SMILES | CC1=C(SCCO1)C(=O)NC2=CC(=CC=C2)N=[N+]=[N-] |
Product Overview
3'-Azidocarboxin (CAS 77386-61-9), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: N-(3-azidophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
Chemical Property Profile of 3'-Azidocarboxin
Property Insights of 3'-Azidocarboxin
The XLogP value of 3.5618 indicates that 3'-Azidocarboxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Azidocarboxin. Following Lipinski's Rule of Five, 3'-Azidocarboxin has 1 hydrogen bond donor(s) and 4 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 3'-Azidocarboxin?
The CAS number of 3'-Azidocarboxin is 77386-61-9.
What is the molecular formula of 3'-Azidocarboxin?
The molecular formula of 3'-Azidocarboxin is C12H12N4O2S.
What is the molecular weight of 3'-Azidocarboxin?
The molecular weight of 3'-Azidocarboxin is 276.07 g/mol.
Where can I buy 3'-Azidocarboxin?
You can request a quote for 3'-Azidocarboxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Azidocarboxin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azidocarboxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.