C18H17NO4.ClH.1/2H2O
TL;DR: C18H17NO4.ClH.1/2H2O (CAS 75370-49-9) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.01,15.02,10.04,8]icosa-2,4(8),9,15,18-pentaen-17-one;hydrochloride
Also Known As: C18H17NO4.ClH.1/2H2O, C18-H17-N-O4.Cl-H.1/2H2-O, 3H-7,13b-Methano(1,3)benzodioxolo(5,6-e)(2)benzazocin-3-one, 5,6,7,8-tetrahydro-2-methoxy-, hydrochloride, (+-)-, hydrate (2:2:1), 2-Methoxy-5,6,7,8-tetrahydro-3H,11H-7,13b-methanobenzo[c][1,3]benzodioxolo[5,6-e]azocin-3-one--hydrogen chloride (1/1), RefChem:283077
| Molecular Formula | C18H18ClNO4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.0323 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.09244 |
| Heavy Atoms | 24 |
| Complexity | 800.4537 |
Chemical Identifiers
| CAS Number | 75370-49-9 |
|---|---|
| SMILES | COC1=CC23CC(CC4=CC5=C(C=C42)OCO5)NCC3=CC1=O.Cl |
Product Overview
C18H17NO4.ClH.1/2H2O (CAS 75370-49-9), with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol. IUPAC: 18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.01,15.02,10.04,8]icosa-2,4(8),9,15,18-pentaen-17-one;hydrochloride.
Chemical Property Profile of C18H17NO4.ClH.1/2H2O
Property Insights of C18H17NO4.ClH.1/2H2O
The XLogP value of 2.0323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H17NO4.ClH.1/2H2O. With a topological polar surface area (TPSA) of 56.79 Ų, C18H17NO4.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17NO4.ClH.1/2H2O has 1 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 C18H17NO4.ClH.1/2H2O?
The CAS number of C18H17NO4.ClH.1/2H2O is 75370-49-9.
What is the molecular formula of C18H17NO4.ClH.1/2H2O?
The molecular formula of C18H17NO4.ClH.1/2H2O is C18H18ClNO4.
What is the molecular weight of C18H17NO4.ClH.1/2H2O?
The molecular weight of C18H17NO4.ClH.1/2H2O is 347.09 g/mol.
Where can I buy C18H17NO4.ClH.1/2H2O?
You can request a quote for C18H17NO4.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17NO4.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H17NO4.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.