Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
TL;DR: Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride (CAS 108446-09-9) is a chemical compound with molecular formula C27H29ClN4O and molecular weight 460.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-9,16-dimethyl-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),3,5,12,14,16,18-heptaen-8-imine;hydrochloride
Also Known As: Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
| Molecular Formula | C27H29ClN4O |
|---|---|
| Molecular Weight | 460.20 g/mol |
| LogP | 6.72188 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 460.203 |
| Heavy Atoms | 33 |
| Complexity | 1304.1862 |
Chemical Identifiers
| CAS Number | 108446-09-9 |
|---|---|
| SMILES | CC1C(=NC2=C(C=C(C=C2C)C)C)N3C=NC=CC3C4=C(N1O)C5=CC=CC(=C5C=C4)C.Cl |
Product Overview
Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride (CAS 108446-09-9), with molecular formula C27H29ClN4O and molecular weight 460.20 g/mol. IUPAC: 10-hydroxy-9,16-dimethyl-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),3,5,12,14,16,18-heptaen-8-imine;hydrochloride.
Chemical Property Profile of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
Property Insights of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
The XLogP value of 6.72188 indicates that Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride?
The CAS number of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride is 108446-09-9.
What is the molecular formula of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride?
The molecular formula of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride is C27H29ClN4O.
What is the molecular weight of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride?
The molecular weight of Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride is 460.20 g/mol.
Where can I buy Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride?
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Does KEHONG BIO offer custom synthesis for Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.