3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-
TL;DR: 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- (CAS 76458-47-4) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
Also Known As: 7-Chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol, 3H-1,4-BENZODIAZEPIN-3-OL, 7-CHLORO-2-(DIMETHYLAMINO)-5-PHENYL-, RefChem:1068918, BRN 4514158
| Molecular Formula | C17H16ClN3O |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09818 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 76458-47-4 |
|---|---|
| SMILES | CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=NC1O)C3=CC=CC=C3 |
| InChIKey | PTHJLUZPRXMVTP-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- (CAS 76458-47-4), with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol. IUPAC: 7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol.
Chemical Property Profile of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-
Property Insights of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-. With a topological polar surface area (TPSA) of 48.2 Ų, 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- has 1 hydrogen bond donor(s) and 3 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 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-?
The CAS number of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- is 76458-47-4.
What is the molecular formula of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-?
The molecular formula of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- is C17H16ClN3O.
What is the molecular weight of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-?
The molecular weight of 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- is 313.10 g/mol.
Where can I buy 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-?
You can request a quote for 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepin-3-ol, 7-chloro-2-(dimethylamino)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.