A 77636 hydrochloride
TL;DR: A 77636 hydrochloride (CAS 145307-34-2) is a chemical compound with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
Also Known As: A 77636 hydrochloride, A 77636, A-77636, 3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride, (1R)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
| Molecular Formula | C20H28ClNO3 |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.17578 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 145307-34-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4CC5=C(C=CC(=C5O)O)[C@@H](O4)CN.Cl |
| InChIKey | BWHPNJVKFAPVOG-LXJUREGMSA-N |
Product Overview
A 77636 hydrochloride (CAS 145307-34-2), with molecular formula C20H28ClNO3 and molecular weight 365.18 g/mol. IUPAC: (1R)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride.
Chemical Property Profile of A 77636 hydrochloride
Property Insights of A 77636 hydrochloride
The XLogP value of 3.68 indicates that A 77636 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A 77636 hydrochloride. Following Lipinski's Rule of Five, A 77636 hydrochloride has 4 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 A 77636 hydrochloride?
The CAS number of A 77636 hydrochloride is 145307-34-2.
What is the molecular formula of A 77636 hydrochloride?
The molecular formula of A 77636 hydrochloride is C20H28ClNO3.
What is the molecular weight of A 77636 hydrochloride?
The molecular weight of A 77636 hydrochloride is 365.18 g/mol.
Where can I buy A 77636 hydrochloride?
You can request a quote for A 77636 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 77636 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for A 77636 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.