20681-S
TL;DR: 20681-S (CAS 73361-71-4) is a chemical compound with molecular formula C21H29NO5S and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R,10R)-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;methanesulfonic acid
Also Known As: 20681-S, L-3-Hydroxy-6-oxo-N-cyclopropylmethylmorphinan methansulfonate, 20681 S, S 20681, S-20681
| Molecular Formula | C21H29NO5S |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 2.5436 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.17664 |
| Heavy Atoms | 28 |
| Complexity | 870.78217 |
Chemical Identifiers
| CAS Number | 73361-71-4 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC(=O)C[C@@]23[C@@H]1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CC5 |
Product Overview
20681-S (CAS 73361-71-4), with molecular formula C21H29NO5S and molecular weight 407.18 g/mol. IUPAC: (1S,9R,10R)-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;methanesulfonic acid.
Chemical Property Profile of 20681-S
Property Insights of 20681-S
The XLogP value of 2.5436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20681-S. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 20681-S. Following Lipinski's Rule of Five, 20681-S has 2 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 20681-S?
The CAS number of 20681-S is 73361-71-4.
What is the molecular formula of 20681-S?
The molecular formula of 20681-S is C21H29NO5S.
What is the molecular weight of 20681-S?
The molecular weight of 20681-S is 407.18 g/mol.
Where can I buy 20681-S?
You can request a quote for 20681-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20681-S?
Yes, KEHONG BIO provides custom synthesis services for 20681-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.