C28H31NO5.ClH.1/2H2O
TL;DR: C28H31NO5.ClH.1/2H2O (CAS 75398-33-3) is a chemical compound with molecular formula C28H32ClNO5 and molecular weight 497.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3,4-dimethoxyphenyl)ethyl]-5,15-dimethoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one;hydrochloride
Also Known As: C28H31NO5.ClH.1/2H2O, C28-H31-N-O5.Cl-H.1/2H2-O, 3H-7,12b-Methanodibenz(c,e)azocin-3-one, 5,6,7,8-tetrahydro-2,10-dimethoxy-6-(2-(3,4-dimethoxyphenyl)ethyl)-, hydrochloride, hydrate (2:2:1) (+-)-, 6-[2-(3,4-Dimethoxyphenyl)ethyl]-2,10-dimethoxy-5,6,7,8-tetrahydro-3H-7,12b-methanodibenzo[c,e]azocin-3-one--hydrogen chloride (1/1), RefChem:283070
| Molecular Formula | C28H32ClNO5 |
|---|---|
| Molecular Weight | 497.20 g/mol |
| LogP | 4.2845 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1969 |
| Heavy Atoms | 35 |
| Complexity | 1189.8652 |
Chemical Identifiers
| CAS Number | 75398-33-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C34CC(C2)N(CC3=CC(=O)C(=C4)OC)CCC5=CC(=C(C=C5)OC)OC.Cl |
Product Overview
C28H31NO5.ClH.1/2H2O (CAS 75398-33-3), with molecular formula C28H32ClNO5 and molecular weight 497.20 g/mol. IUPAC: 10-[2-(3,4-dimethoxyphenyl)ethyl]-5,15-dimethoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one;hydrochloride.
Chemical Property Profile of C28H31NO5.ClH.1/2H2O
Property Insights of C28H31NO5.ClH.1/2H2O
The XLogP value of 4.2845 indicates that C28H31NO5.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, C28H31NO5.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H31NO5.ClH.1/2H2O has 0 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 C28H31NO5.ClH.1/2H2O?
The CAS number of C28H31NO5.ClH.1/2H2O is 75398-33-3.
What is the molecular formula of C28H31NO5.ClH.1/2H2O?
The molecular formula of C28H31NO5.ClH.1/2H2O is C28H32ClNO5.
What is the molecular weight of C28H31NO5.ClH.1/2H2O?
The molecular weight of C28H31NO5.ClH.1/2H2O is 497.20 g/mol.
Where can I buy C28H31NO5.ClH.1/2H2O?
You can request a quote for C28H31NO5.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 C28H31NO5.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C28H31NO5.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.