20682-S
TL;DR: 20682-S (CAS 73361-72-5) is a chemical compound with molecular formula C21H29NO6S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,10S)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;methanesulfonic acid
Also Known As: 20682-S, L-3,14-Dihydroxy-6-oxo-N-cyclopropylmethylmorphinan methansulfonate, SID:134224022, 20682 S, S 20682
| Molecular Formula | C21H29NO6S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 1.6585 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.17157 |
| Heavy Atoms | 29 |
| Complexity | 919.09906 |
Chemical Identifiers
| CAS Number | 73361-72-5 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C=C(C=C5)O)O |
Product Overview
20682-S (CAS 73361-72-5), with molecular formula C21H29NO6S and molecular weight 423.17 g/mol. IUPAC: (1R,9R,10S)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;methanesulfonic acid.
Chemical Property Profile of 20682-S
Property Insights of 20682-S
The XLogP value of 1.6585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20682-S. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 20682-S. Following Lipinski's Rule of Five, 20682-S has 3 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 20682-S?
The CAS number of 20682-S is 73361-72-5.
What is the molecular formula of 20682-S?
The molecular formula of 20682-S is C21H29NO6S.
What is the molecular weight of 20682-S?
The molecular weight of 20682-S is 423.17 g/mol.
Where can I buy 20682-S?
You can request a quote for 20682-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20682-S?
Yes, KEHONG BIO provides custom synthesis services for 20682-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.