ChemDiv1_027497
TL;DR: ChemDiv1_027497 (CAS 293727-77-2) is a chemical compound with molecular formula C21H25N3OS and molecular weight 367.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,9bR)-N-(4-methoxyphenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide
Also Known As: ChemDiv1_027497, (4aR,9bR)-N-(4-methoxyphenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide, (4aR,9bR)-N-(4-methoxyphenyl)-2,8-dimethyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole-5(9bH)-carbothioamide, (4aR,9bR)-N-(4-methoxyphenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide, N-(4-methoxyphenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
| Molecular Formula | C21H25N3OS |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 4.00832 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.17184 |
| Heavy Atoms | 26 |
| Complexity | 820.5059 |
Chemical Identifiers
| CAS Number | 293727-77-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N([C@H]3[C@H]2CN(CC3)C)C(=S)NC4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_027497 (CAS 293727-77-2), with molecular formula C21H25N3OS and molecular weight 367.17 g/mol. IUPAC: (4aR,9bR)-N-(4-methoxyphenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide.
Chemical Property Profile of ChemDiv1_027497
Property Insights of ChemDiv1_027497
The XLogP value of 4.00832 indicates that ChemDiv1_027497 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.74 Ų, ChemDiv1_027497 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027497 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 ChemDiv1_027497?
The CAS number of ChemDiv1_027497 is 293727-77-2.
What is the molecular formula of ChemDiv1_027497?
The molecular formula of ChemDiv1_027497 is C21H25N3OS.
What is the molecular weight of ChemDiv1_027497?
The molecular weight of ChemDiv1_027497 is 367.17 g/mol.
Where can I buy ChemDiv1_027497?
You can request a quote for ChemDiv1_027497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027497?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.