C29H32N2O.ClH.1/2H2O
TL;DR: C29H32N2O.ClH.1/2H2O (CAS 31912-08-0) is a chemical compound with molecular formula C29H33ClN2O and molecular weight 460.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine;hydrochloride
Also Known As: C29H32N2O.ClH.1/2H2O, C29-H32-N2-O.Cl-H.1/2H2-O, 5H-Dibenz(b,f)azepine, 5-(3-(4-methoxy-4-phenylpiperidino)propyl)-, hydrochloride, hydrate (2:2:1), 5-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]-5h-dibenzo[b,f]azepine hydrochloride(1:1), 11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine hydrochloride
| Molecular Formula | C29H33ClN2O |
|---|---|
| Molecular Weight | 460.23 g/mol |
| LogP | 6.7581 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.22815 |
| Heavy Atoms | 33 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 31912-08-0 |
|---|---|
| SMILES | COC1(CCN(CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C5=CC=CC=C5.Cl |
| InChIKey | LNEOCDYCSRRSPW-UHFFFAOYSA-N |
Product Overview
C29H32N2O.ClH.1/2H2O (CAS 31912-08-0), with molecular formula C29H33ClN2O and molecular weight 460.23 g/mol. IUPAC: 11-[3-(4-methoxy-4-phenylpiperidin-1-yl)propyl]benzo[b][1]benzazepine;hydrochloride.
Chemical Property Profile of C29H32N2O.ClH.1/2H2O
Property Insights of C29H32N2O.ClH.1/2H2O
The XLogP value of 6.7581 indicates that C29H32N2O.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, C29H32N2O.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H32N2O.ClH.1/2H2O has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H32N2O.ClH.1/2H2O?
The CAS number of C29H32N2O.ClH.1/2H2O is 31912-08-0.
What is the molecular formula of C29H32N2O.ClH.1/2H2O?
The molecular formula of C29H32N2O.ClH.1/2H2O is C29H33ClN2O.
What is the molecular weight of C29H32N2O.ClH.1/2H2O?
The molecular weight of C29H32N2O.ClH.1/2H2O is 460.23 g/mol.
Where can I buy C29H32N2O.ClH.1/2H2O?
You can request a quote for C29H32N2O.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 C29H32N2O.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C29H32N2O.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.