5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇
TL;DR: 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 (CAS 18029-54-4) is a chemical compound with molecular formula C20H23NO and molecular weight 293.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Also Known As: 5-(3-(Dimethylamino)propyl)-5H-dibenzo[a,d][7]annulen-5-ol, 5-Hydroxy-N-methylprotriptyline, 5-[3-(dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol, Cyclobenzaprine USP Rc A, Cyclobenzaprine Related Compound A
| Molecular Formula | C20H23NO |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.17798 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 18029-54-4 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2C=CC3=CC=CC=C31)O |
| InChIKey | VMLRQKQUOMJJAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 (CAS 18029-54-4), with molecular formula C20H23NO and molecular weight 293.18 g/mol. IUPAC: 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.
Chemical Property Profile of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇
Property Insights of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇
The XLogP value of 3.8 indicates that 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 has 1 hydrogen bond donor(s) and 2 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 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇?
The CAS number of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 is 18029-54-4.
What is the molecular formula of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇?
The molecular formula of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 is C20H23NO.
What is the molecular weight of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇?
The molecular weight of 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 is 293.18 g/mol.
Where can I buy 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇?
You can request a quote for 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(二甲氨基)丙基)-5H-二苯并(a,d)环庚烯-5-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.