3-苯基肼羧酸-2-氯乙基酯
TL;DR: 3-苯基肼羧酸-2-氯乙基酯 (CAS 5923-43-3) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基肼羧酸-2-氯乙基酯
2-chloroethyl N-anilinocarbamate
Also Known As: 3-Phenylcarbazic acid 2-chloroethyl ester, 2-chloroethyl N-anilinocarbamate, 2-Chloroethyl N(sup2)-phenylcarbazate, 2-Chloroethyl N(sup 2)-phenylcarbazate, 2-chloroethyl N-(anilino)carbamate
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 5923-43-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NNC(=O)OCCCl |
| InChIKey | USNITRHKQFTWEY-UHFFFAOYSA-N |
Product Overview
3-苯基肼羧酸-2-氯乙基酯 (CAS 5923-43-3), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: 2-chloroethyl N-anilinocarbamate.
Chemical Property Profile of 3-苯基肼羧酸-2-氯乙基酯
Property Insights of 3-苯基肼羧酸-2-氯乙基酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基肼羧酸-2-氯乙基酯. With a topological polar surface area (TPSA) of 50.4 Ų, 3-苯基肼羧酸-2-氯乙基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基肼羧酸-2-氯乙基酯 has 2 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 3-苯基肼羧酸-2-氯乙基酯?
The CAS number of 3-苯基肼羧酸-2-氯乙基酯 is 5923-43-3.
What is the molecular formula of 3-苯基肼羧酸-2-氯乙基酯?
The molecular formula of 3-苯基肼羧酸-2-氯乙基酯 is C9H11ClN2O2.
What is the molecular weight of 3-苯基肼羧酸-2-氯乙基酯?
The molecular weight of 3-苯基肼羧酸-2-氯乙基酯 is 214.05 g/mol.
Where can I buy 3-苯基肼羧酸-2-氯乙基酯?
You can request a quote for 3-苯基肼羧酸-2-氯乙基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基肼羧酸-2-氯乙基酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基肼羧酸-2-氯乙基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.