3-苄基卡巴肼酸甲酯
TL;DR: 3-苄基卡巴肼酸甲酯 (CAS 69353-11-3) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苄基卡巴肼酸甲酯
methyl N-(benzylamino)carbamate
Also Known As: Methyl 3-benzylcarbazate, methyl N-(benzylamino)carbamate, starbld0029942, methyl 2-benzylhydrazinecarboxylate, CARBAZIC ACID, 3-BENZYL-, METHYL ESTER
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 69353-11-3 |
|---|---|
| SMILES | COC(=O)NNCC1=CC=CC=C1 |
| InChIKey | TVFSXPGMAXVSDS-UHFFFAOYSA-N |
Product Overview
3-苄基卡巴肼酸甲酯 (CAS 69353-11-3), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: methyl N-(benzylamino)carbamate.
Chemical Property Profile of 3-苄基卡巴肼酸甲酯
Property Insights of 3-苄基卡巴肼酸甲酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苄基卡巴肼酸甲酯. With a topological polar surface area (TPSA) of 50.4 Ų, 3-苄基卡巴肼酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苄基卡巴肼酸甲酯 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-苄基卡巴肼酸甲酯?
The CAS number of 3-苄基卡巴肼酸甲酯 is 69353-11-3.
What is the molecular formula of 3-苄基卡巴肼酸甲酯?
The molecular formula of 3-苄基卡巴肼酸甲酯 is C9H12N2O2.
What is the molecular weight of 3-苄基卡巴肼酸甲酯?
The molecular weight of 3-苄基卡巴肼酸甲酯 is 180.09 g/mol.
Where can I buy 3-苄基卡巴肼酸甲酯?
You can request a quote for 3-苄基卡巴肼酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苄基卡巴肼酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苄基卡巴肼酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.