N-生物素基-4-氨基苯甲酸
TL;DR: N-生物素基-4-氨基苯甲酸 (CAS 3672-04-6) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-生物素基-4-氨基苯甲酸
4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid
Also Known As: B-Paba, Biot-pab, N-Biotinyl-4-aminobenzoic acid, Biotin-PABA, N-(+)-Biotinyl-4-aminobenzoic acid
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 3672-04-6 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=O)N2 |
| InChIKey | PVMDAMXGKHIMSQ-YDHLFZDLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-生物素基-4-氨基苯甲酸 (CAS 3672-04-6), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: 4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid.
Chemical Property Profile of N-生物素基-4-氨基苯甲酸
Property Insights of N-生物素基-4-氨基苯甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-生物素基-4-氨基苯甲酸. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-生物素基-4-氨基苯甲酸. Following Lipinski's Rule of Five, N-生物素基-4-氨基苯甲酸 has 4 hydrogen bond donor(s) and 5 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 N-生物素基-4-氨基苯甲酸?
The CAS number of N-生物素基-4-氨基苯甲酸 is 3672-04-6.
What is the molecular formula of N-生物素基-4-氨基苯甲酸?
The molecular formula of N-生物素基-4-氨基苯甲酸 is C17H21N3O4S.
What is the molecular weight of N-生物素基-4-氨基苯甲酸?
The molecular weight of N-生物素基-4-氨基苯甲酸 is 363.13 g/mol.
Where can I buy N-生物素基-4-氨基苯甲酸?
You can request a quote for N-生物素基-4-氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-生物素基-4-氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for N-生物素基-4-氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.