Isoquinocycline A hydrochloride
TL;DR: Isoquinocycline A hydrochloride (CAS 37332-17-5) is a chemical compound with molecular formula C33H35ClN2O10 and molecular weight 654.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R,17R)-16-[4,5-dihydroxy-5-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy-3,10-dihydroxy-17-methylspiro[18-oxapentacyclo[15.2.1.02,15.04,13.06,11]icosa-2,4(13),6(11),7,9,14-hexaene-19,5'-3,6-dihydro-2H-pyrrolo[2,3-b]pyrrole]-5,12-dione;hydrochloride
Also Known As: Isoquinocycline A hydrochloride, (1S,4R,5R)-8,13-Dihydroxy-4-methyl-7,12-dioxo-4,4',5,5',7,12-hexahydro-1H,1'H-spiro[1,4-methanoanthra[2,3-d]oxepine-2,2'-pyrrolo[2,3-b]pyrrol]-5-yl 2,6-dideoxy-4-C-(1-hydroxyethyl)hexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C33H35ClN2O10 |
|---|---|
| Molecular Weight | 654.20 g/mol |
| LogP | 2.2647 |
| Topological Polar Surface Area | 187.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 654.198 |
| Heavy Atoms | 46 |
| Complexity | 1760.7003 |
Chemical Identifiers
| CAS Number | 37332-17-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)O[C@@H]2C3=CC4=C(C(=C3[C@@H]5C[C@]2(OC56C=C7CCN=C7N6)C)O)C(=O)C8=C(C4=O)C(=CC=C8)O)O)(C(C)O)O.Cl |
Product Overview
Isoquinocycline A hydrochloride (CAS 37332-17-5), with molecular formula C33H35ClN2O10 and molecular weight 654.20 g/mol. IUPAC: (1S,16R,17R)-16-[4,5-dihydroxy-5-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy-3,10-dihydroxy-17-methylspiro[18-oxapentacyclo[15.2.1.02,15.04,13.06,11]icosa-2,4(13),6(11),7,9,14-hexaene-19,5'-3,6-dihydro-2H-pyrrolo[2,3-b]pyrrole]-5,12-dione;hydrochloride.
Chemical Property Profile of Isoquinocycline A hydrochloride
Property Insights of Isoquinocycline A hydrochloride
The XLogP value of 2.2647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinocycline A hydrochloride. The TPSA of 187.37 Ų indicates high polarity, suggesting Isoquinocycline A hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoquinocycline A hydrochloride has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinocycline A hydrochloride?
The CAS number of Isoquinocycline A hydrochloride is 37332-17-5.
What is the molecular formula of Isoquinocycline A hydrochloride?
The molecular formula of Isoquinocycline A hydrochloride is C33H35ClN2O10.
What is the molecular weight of Isoquinocycline A hydrochloride?
The molecular weight of Isoquinocycline A hydrochloride is 654.20 g/mol.
Where can I buy Isoquinocycline A hydrochloride?
You can request a quote for Isoquinocycline A hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinocycline A hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinocycline A hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.