5-氯-2-甲基-3-吲哚丙酸
TL;DR: 5-氯-2-甲基-3-吲哚丙酸 (CAS 73816-52-1) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-甲基-3-吲哚丙酸
3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid
Also Known As: 5-Chloro-2-methyl-3-indolepropionic acid, 3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid, 3-INDOLEPROPIONIC ACID, 5-CHLORO-2-METHYL-, 1H-Indole-3-propanoic acid, 5-chloro-2-methyl-, RefChem:279997
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 73816-52-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)Cl)CCC(=O)O |
| InChIKey | BTGZRYNYFFQYJP-UHFFFAOYSA-N |
Product Overview
5-氯-2-甲基-3-吲哚丙酸 (CAS 73816-52-1), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: 3-(5-chloro-2-methyl-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 5-氯-2-甲基-3-吲哚丙酸
Property Insights of 5-氯-2-甲基-3-吲哚丙酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-2-甲基-3-吲哚丙酸. With a topological polar surface area (TPSA) of 53.1 Ų, 5-氯-2-甲基-3-吲哚丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-2-甲基-3-吲哚丙酸 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 5-氯-2-甲基-3-吲哚丙酸?
The CAS number of 5-氯-2-甲基-3-吲哚丙酸 is 73816-52-1.
What is the molecular formula of 5-氯-2-甲基-3-吲哚丙酸?
The molecular formula of 5-氯-2-甲基-3-吲哚丙酸 is C12H12ClNO2.
What is the molecular weight of 5-氯-2-甲基-3-吲哚丙酸?
The molecular weight of 5-氯-2-甲基-3-吲哚丙酸 is 237.06 g/mol.
Where can I buy 5-氯-2-甲基-3-吲哚丙酸?
You can request a quote for 5-氯-2-甲基-3-吲哚丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-甲基-3-吲哚丙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-甲基-3-吲哚丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.