A3691/0156618
TL;DR: A3691/0156618 (CAS 704877-98-5) is a chemical compound with molecular formula C26H32N2O and molecular weight 388.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone
Also Known As: A3691/0156618, (8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone, 1-ADAMANTYL(8-METHYL-1,2,3A,4,5,6-HEXAHYDRO-3H-PYRAZINO[3,2,1-JK]CARBAZOL-3-YL)METHANONE, adamantan-1-yl(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)methanone
| Molecular Formula | C26H32N2O |
|---|---|
| Molecular Weight | 388.25 g/mol |
| LogP | 5.38572 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.25146 |
| Heavy Atoms | 29 |
| Complexity | 995.70886 |
Chemical Identifiers
| CAS Number | 704877-98-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)C(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
A3691/0156618 (CAS 704877-98-5), with molecular formula C26H32N2O and molecular weight 388.25 g/mol. IUPAC: 1-adamantyl-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)methanone.
Chemical Property Profile of A3691/0156618
Property Insights of A3691/0156618
The XLogP value of 5.38572 indicates that A3691/0156618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, A3691/0156618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3691/0156618 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3691/0156618?
The CAS number of A3691/0156618 is 704877-98-5.
What is the molecular formula of A3691/0156618?
The molecular formula of A3691/0156618 is C26H32N2O.
What is the molecular weight of A3691/0156618?
The molecular weight of A3691/0156618 is 388.25 g/mol.
Where can I buy A3691/0156618?
You can request a quote for A3691/0156618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3691/0156618?
Yes, KEHONG BIO provides custom synthesis services for A3691/0156618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.