苯絲氨酸
TL;DR: 苯絲氨酸 (CAS 101246-66-6) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯絲氨酸
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
Also Known As: Phenserine, (-)-Phenserine, (3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate, Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-phenylcarbamate), (3aS,8aR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1);Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-phenylcarbamate), (3aS,8aR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 3.6666 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 807.8435 |
Chemical Identifiers
| CAS Number | 101246-66-6 |
|---|---|
| SMILES | C[C@@]12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C |
Product Overview
苯絲氨酸 (CAS 101246-66-6), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate.
Chemical Property Profile of 苯絲氨酸
Property Insights of 苯絲氨酸
The XLogP value of 3.6666 indicates that 苯絲氨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, 苯絲氨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯絲氨酸 has 1 hydrogen bond donor(s) and 4 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 苯絲氨酸?
The CAS number of 苯絲氨酸 is 101246-66-6.
What is the molecular formula of 苯絲氨酸?
The molecular formula of 苯絲氨酸 is C20H23N3O2.
What is the molecular weight of 苯絲氨酸?
The molecular weight of 苯絲氨酸 is 337.18 g/mol.
Where can I buy 苯絲氨酸?
You can request a quote for 苯絲氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯絲氨酸?
Yes, KEHONG BIO provides custom synthesis services for 苯絲氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.