5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-
TL;DR: 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- (CAS 186376-96-5) is a chemical compound with molecular formula C18H25NO3S and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-4-oxo-3-(sulfanylmethyl)-5-azabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-6-carboxylic acid
Also Known As: 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-, 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S-(3R*,6R*))-, (3S,6S)-3-(Mercaptomethyl)-4-oxo-5-aza-1(1,3)-benzenacyclododecaphane-6-carboxylic acid, (3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-6-carboxylic acid, (6S)-4-oxo-3-(sulfanylmethyl)-5-azabicyclo[11.3.1]heptadeca-14,16,18-triene-6-carboxylic Acid
| Molecular Formula | C18H25NO3S |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 2.8511 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.15552 |
| Heavy Atoms | 23 |
| Complexity | 546.8232 |
Chemical Identifiers
| CAS Number | 186376-96-5 |
|---|---|
| SMILES | C1CCCC2=CC(=CC=C2)C[C@@H](C(=O)N[C@@H](CC1)C(=O)O)CS |
Product Overview
5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- (CAS 186376-96-5), with molecular formula C18H25NO3S and molecular weight 335.16 g/mol. IUPAC: (3S,6S)-4-oxo-3-(sulfanylmethyl)-5-azabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-6-carboxylic acid.
Chemical Property Profile of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-
Property Insights of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-. Following Lipinski's Rule of Five, 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- has 3 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 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-?
The CAS number of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- is 186376-96-5.
What is the molecular formula of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-?
The molecular formula of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- is C18H25NO3S.
What is the molecular weight of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-?
The molecular weight of 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- is 335.16 g/mol.
Where can I buy 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-?
You can request a quote for 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Azabicyclo(11.3.1)heptadeca-1(17),13,15-triene-6-carboxylic acid, 3-(mercaptomethyl)-4-oxo-, (3S,6S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.