![2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide structure](/static/products/6966/696652-39-8.webp)
2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide
TL;DR: 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide (CAS 696652-39-8) is a chemical compound with molecular formula C16H21N3S and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,8b-dimethyl-N-prop-2-enyl-2,4-dihydro-1H-pyrrolo[2,3-b]indole-3-carbothioamide
Also Known As: 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide, A3471/0147177, N-ALLYL-3A,8A-DIMETHYL-3,3A,8,8A-TETRAHYDROPYRROLO[2,3-B]INDOLE-1(2H)-CARBOTHIOAMIDE, 3a,8b-dimethyl-N-prop-2-enyl-2,4-dihydro-1H-pyrrolo[2,3-b]indole-3-carbothioamide, 3a,8a-dimethyl-N-(prop-2-en-1-yl)-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carbothioamide
| Molecular Formula | C16H21N3S |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.8522 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.14563 |
| Heavy Atoms | 20 |
| Complexity | 570.59534 |
Chemical Identifiers
| CAS Number | 696652-39-8 |
|---|---|
| SMILES | CC12CCN(C1(NC3=CC=CC=C23)C)C(=S)NCC=C |
Product Overview
2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide (CAS 696652-39-8), with molecular formula C16H21N3S and molecular weight 287.15 g/mol. IUPAC: 3a,8b-dimethyl-N-prop-2-enyl-2,4-dihydro-1H-pyrrolo[2,3-b]indole-3-carbothioamide.
Chemical Property Profile of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide
Property Insights of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide
The XLogP value of 2.8522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide. With a topological polar surface area (TPSA) of 27.3 Ų, 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide has 2 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 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide?
The CAS number of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide is 696652-39-8.
What is the molecular formula of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide?
The molecular formula of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide is C16H21N3S.
What is the molecular weight of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide?
The molecular weight of 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide is 287.15 g/mol.
Where can I buy 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide?
You can request a quote for 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyrrolo[2,3-b]indole-1-carbothioic acid, 3a,8a-dimethyl-3,3a,8,8a-tetrahydro-, allylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.