C18H17N3O5S
TL;DR: C18H17N3O5S (CAS 1214623-68-3) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
Also Known As: (1S,5S)-3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 6-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 1.0908 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 1269.8794 |
Chemical Identifiers
| CAS Number | 1214623-68-3 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5 |
Product Overview
C18H17N3O5S (CAS 1214623-68-3), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: 6-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of C18H17N3O5S
Property Insights of C18H17N3O5S
The XLogP value of 1.0908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H17N3O5S. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H17N3O5S. Following Lipinski's Rule of Five, C18H17N3O5S has 1 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 C18H17N3O5S?
The CAS number of C18H17N3O5S is 1214623-68-3.
What is the molecular formula of C18H17N3O5S?
The molecular formula of C18H17N3O5S is C18H17N3O5S.
What is the molecular weight of C18H17N3O5S?
The molecular weight of C18H17N3O5S is 387.09 g/mol.
Where can I buy C18H17N3O5S?
You can request a quote for C18H17N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17N3O5S?
Yes, KEHONG BIO provides custom synthesis services for C18H17N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.